SORBITAN MONOOLEATE

Relevant Data

Food Additives Approved by WHO:

SORBITAN MONOOLEATE [show]

Food Additives Approved by European Union:

Sorbitan monooleate [show]

General Information

Mainterm	SORBITAN MONOOLEATE
Doc Type	ASP
CAS Reg.No.(or other ID)	1338-43-8
Regnum	175.105 178.3400 73.1001 173.75

From www.fda.gov

Computed Descriptors

2D Structure
CID	656582
IUPAC Name	sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one
InChI	InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1
InChI Key	WINXNKPZLFISPD-UHFFFAOYSA-M
Canonical SMILES	C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+]
Molecular Formula	C7H4NNaO3S
Wikipedia	saccharin sodium anhydrous

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	205.163
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Complexity	308.0
CACTVS Substructure Key Fingerprint	A A A D c Y B i M C B A A A A A A A A A A A A A A A A A A W A A A A A w A A A A A A A A A F g B A A A A H g Q A Q A A A D A C B 2 A A w A Y A A A A K I A i F S E H D C A B A k A A A I i B k A B M g I I D K A l R G A I Q B g g A A I i Y c Y i A C O A A A A A A A E A A A A A A A A A A g A A A A A A A A A A A = =
Topological Polar Surface Area	60.6
Monoisotopic Mass	204.981
Exact Mass	204.981
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	13
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	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Carboxylic acids and derivatives Organosulfonic acids and derivatives Organic oxides Organooxygen compounds Organic sodium salts Carbene-type 1,3-dipolar compounds Azacyclic compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,2-benzothiazole - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid derivative - Carbene-type 1,3-dipolar compound - Organic 1,3-dipolar compound - Organic alkali metal salt - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).

From ClassyFire