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Molecule record

2-methylthiane

C6H12S

116.23 g/mol

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Molecular properties

Formula
C6H12S
Molar mass
116.23 g·mol−1
Exact mass
116.0660 Da
1
PubChem CID
51758

Functional groups

Alkane / alkyl carbon
Sulfide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 2-Methyltetrahydro-2H-thiopyran
  • 2-Methyltetrahydro-2H-thiopyran #
  • 2-methyl-thiacyclohexane
  • 2H-Thiopyran, tetrahydro-2-methyl-
  • 5161-16-0
  • 73180-15-1
  • AKOS021985976
  • DTXSID00871116
Show all 16 synonyms
  • SCHEMBL1263609
  • SCHEMBL5514555
  • SCHEMBL762989
  • SCHEMBL9090366
  • SCHEMBL9293722
  • TETRAHYDROMETHYL-2H-THIOPYRAN
  • Tetrahydro-2-methyl-2H-thiopyran
  • VLBGYQISAJHVAD-UHFFFAOYSA-N

Structure identifiers

Canonical SMILES
CC1CCCCS1
Isomeric SMILES
CC1CCCCS1
InChI
InChI=1S/C6H12S/c1-6-4-2-3-5-7-6/h6H,2-5H2,1H3
InChIKey
VLBGYQISAJHVAD-UHFFFAOYSA-N
PubChem CID
51758

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-methylthiane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylthiane; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record