KEGG   COMPOUND: C08391
Entry
C08391                      Compound                               
Name
Propane-2-thiol;
Isopropyl mercaptan;
2-Propanethiol
Formula
C3H8S
Exact mass
76.0347
Mol weight
76.1606
Structure
Other DBs
CAS: 75-33-2
PubChem: 10587
ChEBI: 8474
KNApSAcK: C00001268
NIKKAJI: J2.390F
KCF data

ATOM        4
            1   C1c C    28.0000  -19.8800
            2   C1a C    29.2125  -20.5770
            3   C1a C    27.9942  -18.4801
            4   S1a S    26.7875  -20.5829
BOND        3
            1     1   2 1
            2     1   3 1
            3     1   4 1

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Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (6)   

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