Marvin  01040615052D          

  4  3  0  0  0  0            999 V2000
   -3.3750    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6605    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9461    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316    0.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <ID>
CHEBI:8473

> <NAME>
propane-1-thiol

> <DEFINITION>
An alkanethiol that is propane substituted by a thiol group at position 1.

> <STAR>
3

> <SYNONYM>
Thiopropyl alcohol; Propylthiol; Propyl mercaptan; Propanethiol; Propane-1-thiol; n-Thiopropyl alcohol; n-Propylthiol; n-Propylmercaptan; n-Propyl mercaptan; 1-Propylmercaptan; 1-Propyl mercaptan; 1-Mercaptopropane

> <IUPAC_NAME>
propane-1-thiol

> <FORMULA>
C3H8S

> <MASS>
76.16162

> <MONOISOTOPIC_MASS>
76.03467

> <CHARGE>
0

> <SMILES>
CCCS

> <INCHI>
InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3

> <INCHIKEY>
SUVIGLJNEAMWEG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1696860

> <CAS_REGISTRY_NUMBER>
107-03-9

> <REAXYS_REGISTRY_NUMBER>
1696860

> <CHEMIDPLUS>
107-03-9

> <KEGG_COMPOUND_ACCESSION>
C08390

> <KNAPSACK_ACCESSION>
C00001267

> <NIST_CHEMISTRY_WEBBOOK>
107-03-9

> <PDBECHEM_ACCESSION>
XL3

> <WIKIPEDIA_ACCESSION>
Propanethiol

> <PUBMED_CITATION>
16748484

$$$$