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