Summary

IMPPAT Phytochemical identifier: IMPHY014659

Phytochemical name: (r)-2-Butyl-1-propenyl disulphide

Synonymous chemical names:
(r)-2-butyl-1-propenyl disulphide

External chemical identifiers:
CID:129855576

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Chemical structure information

SMILES:
CCCC/C(=C/SS/C=C(CCCC)/C)/C

InChI:
InChI=1S/C14H26S2/c1-5-7-9-13(3)11-15-16-12-14(4)10-8-6-2/h11-12H,5-10H2,1-4H3/b13-11-,14-12+

InChIKey:
SEMSNUQKIWOUNK-HEEUSZRZSA-N

DeepSMILES:
CCCC/C=C/SS/C=CCCCC))))/C))))))/C

Functional groups:
C/C(C)=CSS/C=C(/C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.525

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Chemical structure download