2-Thioethenamine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.

Alkylthiols

Organic compounds

Organosulfur compounds

Thiols

Alkylthiols

Calculated Property

kind Value Source
logP 0.26 ALOGPS
logS -0.63 ALOGPS
Water Solubility 1.77e+01 g/l ALOGPS
logP -0.27 ChemAxon
IUPAC Name (E)-2-aminoethene-1-thiol ChemAxon
Traditional IUPAC Name (E)-2-aminoethene-1-thiol ChemAxon
Molecular Weight 75.133 ChemAxon
Monoisotopic Weight 75.014269855 ChemAxon
SMILES NC=CS ChemAxon
Molecular Formula C2H5NS ChemAxon
InChI InChI=1S/C2H5NS/c3-1-2-4/h1-2,4H,3H2/b2-1+ ChemAxon
InChIKey InChIKey=JLZMZFJVTNYDOT-OWOJBTEDSA-N ChemAxon
Polar Surface Area (PSA) 26.02 ChemAxon
Refractivity 21.81 ChemAxon
Polarizability 7.73 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 9.69 ChemAxon
pKa (strongest basic) 5.7 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Lantibiotic mersacidin : in Bacillus sp. (strain HIL-Y85/54728)