Summary

IMPPAT Phytochemical identifier: IMPHY004535

Phytochemical name: Methyl sec-butyl disulfide

Synonymous chemical names:
2- butyl methyl disulphide, 2-butyl methyl disulphide, methyl sec-butyl disulfide

External chemical identifiers:
CID:522263, SureChEMBL:SCHEMBL18133318

---

Chemical structure information

SMILES:
CSSC(CC)C

InChI:
InChI=1S/C5H12S2/c1-4-5(2)7-6-3/h5H,4H2,1-3H3

InChIKey:
QTWVOHZEDPQFTP-UHFFFAOYSA-N

DeepSMILES:
CSSCCC))C

Functional groups:
CSSC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Organic disulfides

ClassyFire Subclass: Dialkyldisulfides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 0.725

---

Chemical structure download