Sulfur
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Basic Info
| Common Name | Sulfur(F06205) |
| 2D Structure | |
| FRCD ID | F06205 |
| CAS Number | 7704-34-9 |
| PubChem CID | 5362487 |
| Formula | S |
| IUPAC Name | sulfur |
| InChI Key | NINIDFKCEFEMDL-UHFFFAOYSA-N |
| InChI | InChI=1S/S |
| Canonical SMILES | [S] |
| Isomeric SMILES | [S] |
| Synonyms |
Sulfur
7704-34-9
Polymeric sulfur
Lac Sulfur
9035-99-8
Sulfur ad usum externum
ACMC-20a47y
rubbervulcanizationagentis(ot)
CTK2H7188
KS-00000WOT
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Inorganic compounds |
| Superclass | Homogeneous non-metal compounds |
| Class | Other non-metal organides |
| Subclass | Other non-metal sulfides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Other non-metal sulfides |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Other non-metal sulfide |
| Description | This compound belongs to the class of inorganic compounds known as other non-metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 32.06 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Complexity | 0 |
| Monoisotopic Mass | 31.972 |
| Exact Mass | 31.972 |
| XLogP | 0.5 |
| Formal Charge | 0 |
| Heavy Atom Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9758 |
| Human Intestinal Absorption | HIA+ | 0.9913 |
| Caco-2 Permeability | Caco2+ | 0.7372 |
| P-glycoprotein Substrate | Non-substrate | 0.8956 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9765 |
| Non-inhibitor | 0.9903 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9215 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.5942 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8443 |
| CYP450 2D6 Substrate | Non-substrate | 0.8344 |
| CYP450 3A4 Substrate | Non-substrate | 0.8266 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.8598 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8992 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9686 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.9331 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9853 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.7956 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9638 |
| Non-inhibitor | 0.9738 | |
| AMES Toxicity | Non AMES toxic | 0.9470 |
| Carcinogens | Carcinogens | 0.6471 |
| Fish Toxicity | High FHMT | 0.6004 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.5333 |
| Honey Bee Toxicity | High HBT | 0.8726 |
| Biodegradation | Not ready biodegradable | 0.7810 |
| Acute Oral Toxicity | III | 0.5765 |
| Carcinogenicity (Three-class) | Non-required | 0.5045 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -0.7560 | LogS |
| Caco-2 Permeability | 1.6822 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.1523 | LD50, mol/kg |
| Fish Toxicity | 1.5979 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.1288 | pIGC50, ug/L |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Strawberries (Other Than Wild) | Denmark | 50mg/kg | |||
| Pears | Denmark | 50mg/kg | |||
| Apples | Denmark | 50mg/kg | |||
| Grape | Denmark | 50.00 no so2 (table)mg/kg |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Selenium amelioration of arsenic toxicity in rice shows genotypic variation: A transcriptomic and biochemical analysis. | J Plant Physiol | 2018 Sep 27 | 30278313 |
| Phytotoxicity of polymetallic mine wastes from southern Tuscany and Saxony. | Ecotoxicol Environ Saf | 2018 Oct 30 | 30015197 |
| Metabolic Susceptibility of 2-Chlorothioxanthone and Its Toxic Effects on mRNA and Protein Expression and Activities of Human CYP1A2 and CYP3A4 Enzymes. | Environ Sci Technol | 2018 Oct 3 | 30234976 |
| Preparation of sulfur nanoparticles and their antibacterial activity and cytotoxic effect. | Mater Sci Eng C Mater Biol Appl | 2018 Nov 1 | 30184776 |
| Inhibitory effect of Lactococcus lactis on the bioactivity of periodontopathogens. | J Gen Appl Microbiol | 2018 May 21 | 29367491 |
| Mercury bioaccumulation in aquatic biota along a salinity gradient in the Saint John River estuary. | J Environ Sci (China) | 2018 Jun | 29908743 |
| Tissue specific expression and in-silico characterization of a putative cysteine synthase gene from Lathyrus sativus L. | Gene Expr Patterns | 2018 Jan | 29247850 |
| The role of sulfate-reducing prokaryotes in the coupling of element biogeochemical cycling. | Sci Total Environ | 2018 Feb 1 | 28918271 |
| Bleaching effects of massecuite on some properties of crystallized sugar beet and milk chocolate bars produced. | J Food Sci Technol | 2018 Apr | 29606737 |
| Iron and sulfur cycling in acid sulfate soil wetlands under dynamic redox conditions: A review. | Chemosphere | 2018 Apr | 29407844 |
| Glutathione S-Transferases: Role in Combating Abiotic Stresses Including Arsenic Detoxification in Plants. | Front Plant Sci | 2018 | 29930563 |
| Differential sulphur assimilation mechanism regulates response of Arabidopsis thaliana natural variation towards arsenic stress under limiting sulphur condition. | J Hazard Mater | 2017 Sep 5 | 28525880 |
| An aerobic detoxification photofermentation by Rhodospirillum rubrum for converting soy sauce residue into feed with moderate pretreatment. | World J Microbiol Biotechnol | 2017 Sep 25 | 28948457 |
| Laying Waste to Mercury: Inexpensive Sorbents Made from Sulfur and Recycled Cooking Oils. | Chemistry | 2017 Nov 16 | 28763123 |
| Stable sulfur isotopes identify habitat-specific foraging and mercury exposure in a highly mobile fish community. | Sci Total Environ | 2017 May 15 | 28190573 |
| Monitoring heavy metals, residual agricultural chemicals and sulfites in traditional herbal decoctions. | BMC Complement Altern Med | 2017 Mar 14 | 28288606 |
| Modeling emissions from CAFO poultry farms in Poland and evaluating potential risk to surrounding populations. | Regul Toxicol Pharmacol | 2017 Mar | 27986593 |
| A sulfated galactans supplemented diet enhances the expression of immune genes and protects against Vibrio parahaemolyticus infection in shrimp. | Fish Shellfish Immunol | 2017 Jun | 28442419 |
| Sulphur dioxide in meat products: 3-year control results of an accredited Italian laboratory. | Food Addit Contam Part B Surveill | 2017 Jun | 28100125 |
| The Influences of Bacillus subtilis on the Virulence of Aeromonas hydrophila and Expression of luxS Gene of Both Bacteria Under Co-cultivation. | Curr Microbiol | 2017 Jun | 28342077 |