Summary

IMPPAT Phytochemical identifier: IMPHY015902

Phytochemical name: 1-Propene-1-thiol

Synonymous chemical names:
prop-1-ene-1-thiol

External chemical identifiers:
CID:5366351, SureChEMBL:SCHEMBL171072

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Chemical structure information

SMILES:
C/C=C/S

InChI:
InChI=1S/C3H6S/c1-2-3-4/h2-4H,1H3/b3-2+

InChIKey:
RIZGKEIRSQLIBK-NSCUHMNNSA-N

DeepSMILES:
C/C=C/S

Functional groups:
C/C=C/S

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thiols

ClassyFire Subclass: Alkylthiols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.538

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Chemical structure download