Ethanesulfenothioic acid

HCID 94671

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Basic information

CAS: 74004-30-1
Standard SMILES: CCSS
InChIKey: YENZEWKLSIXGBO-UHFFFAOYSA-N
Molecular formula: C2H6S2
Average molar mass: 94.2 g/mol
Monoisotopic mass: 93.99109254

Names & identifiers

Preferred name: Ethanesulfenothioic acid
IUPAC: disulfanylethane

Names & synonyms

Ethanesulfenothioic acid74004-30-1DTXSID70224796RefChem:340145DTXCID00147287ETHANEDITHIOPEROXOLdithiabutaneSCHEMBL64332SCHEMBL190778SCHEMBL562303SCHEMBL1160355SCHEMBL11895919

Database identifiers

CAS: 74004-30-1
PubChem CID: 94671
DTXSID: DTXSID70224796
Nikkaji: J651.585A

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 4
Formal charge: 0
Complexity: 8

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