KEGG   COMPOUND: C08390
Entry
C08390                      Compound                               
Name
Propane-1-thiol;
Propanethiol;
Propyl mercaptan
Formula
C3H8S
Exact mass
76.0347
Mol weight
76.16
Structure
Other DBs
CAS: 107-03-9
PubChem: 10586
ChEBI: 8473
KNApSAcK: C00001267
PDB-CCD: XL3[PDBj]
NIKKAJI: J4.046K
LinkDB
KCF data

ATOM        4
            1   C1b C    27.3937  -19.1802
            2   C1b C    28.6063  -19.8798
            3   C1a C    26.1810  -19.8798
            4   S1a S    29.8190  -19.1802
BOND        3
            1     1   2 1
            2     1   3 1
            3     2   4 1

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