Summary

IMPPAT Phytochemical identifier: IMPHY017365

Phytochemical name: Hexamethylene sulfoxide

Synonymous chemical names:
hexamethylene sulfoxide

External chemical identifiers:
CID:535250, ZINC:ZINC000032184481, SureChEMBL:SCHEMBL256066

---

Chemical structure information

SMILES:
O=S1CCCCCC1

InChI:
InChI=1S/C6H12OS/c7-8-5-3-1-2-4-6-8/h1-6H2

InChIKey:
LBMZLLXZMSMJPJ-UHFFFAOYSA-N

DeepSMILES:
O=SCCCCCC7

Functional groups:
CS(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=S1CCCCCC1

Scaffold Graph/Node level:
O[SH]1CCCCCC1

Scaffold Graph level:
CC1CCCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Thiepanes

NP-Likeness score: -0.079

---

Chemical structure download