Summary

IMPPAT Phytochemical identifier: IMPHY015226

Phytochemical name: 2,4,6-Trimethyl-1,3,5-trithiane

Synonymous chemical names:
2,4,6-trimethyl-1,3,5-trithiane

External chemical identifiers:
CID:17696, ChEBI:169269, ZINC:ZINC000000398630, SureChEMBL:SCHEMBL1641407, MolPort-001-789-917

---

Chemical structure information

SMILES:
CC1SC(C)SC(S1)C

InChI:
InChI=1S/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3

InChIKey:
XQVYLDFSPBXACS-UHFFFAOYSA-N

DeepSMILES:
CCSCC)SCS6)C

Functional groups:
CC1SC(C)SC(C)S1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1SCSCS1

Scaffold Graph/Node level:
C1SCSCS1

Scaffold Graph level:
C1CCCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Trithianes

NP-Likeness score: 0.017

---

Chemical structure download