Summary

IMPPAT Phytochemical identifier: IMPHY016535

Phytochemical name: Bis(1-methyl propenyl) disulfide

Synonymous chemical names:
bis (1-methylpropenyl) disulfide

External chemical identifiers:
CID:91749927, SureChEMBL:SCHEMBL5423192

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Chemical structure information

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

InChI:
InChI=1S/C8H14S2/c1-5-7(3)9-10-8(4)6-2/h5-6H,1-4H3/b7-5+,8-6+

InChIKey:
SEUXDSIHTAQGIQ-KQQUZDAGSA-N

DeepSMILES:
C/C=C/SS/C=C/C))/C))))C

Functional groups:
C/C=C(C)SS/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: Fatty alcohols

NP-Likeness score: 0.495

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Chemical structure download