Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID009545

Phytochemical name: Di-sec-butyl disulfide

Synonymous chemical names:
bis (1-methylpropyl) disulfide, bis (1-methyl propyl) disulfide

External chemical identifiers:
CID:CID_94314, ChEMBL:CHEMBL3189103, FDASRS:P593TCY71H, SureChEMBL:SCHEMBL191109, MolPort-003-940-559

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Chemical structure information

SMILES:
CCC(SSC(CC)C)C

InChI:
InChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3

InChIKey:
QTWKINKGAHTPFJ-UHFFFAOYSA-N

DeepSMILES:
CCCSSCCC))C))))C

Functional groups:
CSSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

ClassyFire Subclass: Dialkyldisulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.274

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Chemical structure download