Keyword(s): Natural Toxins
Molecule Category Free-form
EPA CompTox DTXSID601310808

Structure

InChI Key RRGUMJYEQDVBFP-UHFFFAOYNA-N
Smiles CSS(=O)C
InChI
InChI=1/C2H6OS2/c1-4-5(2)3/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6OS2
Molecular Weight 109.99
AlogP 0.64
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 13882-12-7
NORMAN SUSDAT
PubChem 95200
ChemSpider 85904.0