Summary

IMPPAT Phytochemical identifier: IMPHY017760

Phytochemical name: 1,3-Propanedithiol

Synonymous chemical names:
1,3-propanedithiol

External chemical identifiers:
CID:8013, ChEBI:44864, ZINC:ZINC000003860693, FDASRS:R4LUJ82U52, SureChEMBL:SCHEMBL25497, MolPort-003-939-167

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Chemical structure information

SMILES:
SCCCS

InChI:
InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2

InChIKey:
ZJLMKPKYJBQJNH-UHFFFAOYSA-N

DeepSMILES:
SCCCS

Functional groups:
CS

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thiols

ClassyFire Subclass: Alkylthiols

NP-Likeness score: 0.024

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Chemical structure download