Marvin  07071017392D          

  4  3  0  0  0  0            999 V2000
    3.1821   -0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946   -0.7439    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  4  0  0  0
  2  4  1  0  0  0  0
M  END
> <ID>
CHEBI:59723

> <NAME>
prop-1-ene-1-thiol

> <DEFINITION>
The thioenol of propene.

> <STAR>
3

> <SYNONYM>
propene-1-thiol; allyl mercaptan; 1-propenethiol

> <IUPAC_NAME>
prop-1-ene-1-thiol

> <FORMULA>
C3H6S

> <MASS>
74.14500

> <MONOISOTOPIC_MASS>
74.01902

> <CHARGE>
0

> <SMILES>
CC=CS

> <INCHI>
InChI=1S/C3H6S/c1-2-3-4/h2-4H,1H3

> <INCHIKEY>
RIZGKEIRSQLIBK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1900352

> <CAS_REGISTRY_NUMBER>
925-89-3

> <CHEMIDPLUS>
925-89-3

$$$$