VINYLENE BISTHIOCYANATE

General Information

From www.fda.gov

2D Structure
CID	5354393
IUPAC Name	[(E)-2-thiocyanatoethenyl] thiocyanate
InChI	InChI=1S/C4H2N2S2/c5-3-7-1-2-8-4-6/h1-2H/b2-1+
InChI Key	MNCUCCJMXIWMJJ-OWOJBTEDSA-N
Canonical SMILES	C(=CSC#N)SC#N
Molecular Formula	C4H2N2S2
Wikipedia	vinylene bisthiocyanate

From Pubchem

Property Name	Property Value
Molecular Weight	142.194
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Complexity	147.0
CACTVS Substructure Key Fingerprint	A A A D c Q B j A A B g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A H A Q A A A A A A A C E Q A C A A A A A A A i Q A A A C A A A A A A A A A A A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	98.2
Monoisotopic Mass	141.966
Exact Mass	141.966
XLogP3	None
XLogP3-AA	1.6
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	8
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	1

From Pubchem

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Thioethers
Subclass	Thioenol ethers
Intermediate Tree Nodes	Not available
Direct Parent	Thioenol ethers
Alternative Parents	Organopnictogen compounds Sulfenyl compounds Thiocyanates Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Thioenolether - Sulfenyl compound - Thiocyanate - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as thioenol ethers. These are compounds containing the enol ether functional group, with the formula R3SCR2=CR1.

From ClassyFire