6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran

C7H12S2 — CID 12669522

IUPAC6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran
SMILESCSC1(C)CC=CCS1
InChIInChI=1S/C7H12S2/c1-7(8-2)5-3-4-6-9-7/h3-4H,5-6H2,1-2H3
InChIKeyQJADOPFAMJGUME-UHFFFAOYSA-N
MW160.31 g/mol
LogP2.76
Rot. Bonds1

About 6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran

6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran (PubChem CID 12669522) has the molecular formula C7H12S2 and a molecular weight of 160.31 g/mol. Its IUPAC name is 6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran.

Molecular Properties

Compound Name6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran
PubChem CID12669522
Molecular FormulaC7H12S2
Molecular Weight160.31 g/mol
Exact Mass160.04
IUPAC Name6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran
SMILESCSC1(C)CC=CCS1
InChIInChI=1S/C7H12S2/c1-7(8-2)5-3-4-6-9-7/h3-4H,5-6H2,1-2H3
InChIKeyQJADOPFAMJGUME-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,6-Dihydro-2H-thiopyran
CID 567880
2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2-Propyl-2,5-dihydrothiophene
CID 15032355
3-Ethylsulfanylcyclohexene
CID 10975594
3,4,7,8-tetrahydro-2H-thiocine
CID 11126281
(5E)-3,4,7,8-tetrahydro-2H-thiocine
CID 12460588
3-Ethylsulfanylcyclopentene
CID 13244646
3-Methylsulfanylcyclohexene
CID 13244647
2-Methyl-5,6-dihydrothiopyran
CID 13615975
2-n-Propyl-3,6-dihydro-2h-thiapyran
CID 15130795
6-ethyl-2H-thiopyran
CID 19737637

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The IUPAC name of 6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran (CID 12669522) is 6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran.
What is the SMILES notation for 6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The canonical SMILES for 6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran is CSC1(C)CC=CCS1.
What is the InChIKey of 6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The InChIKey is QJADOPFAMJGUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S2/c1-7(8-2)5-3-4-6-9-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran?
6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran has a molecular weight of 160.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-methylsulfanyl-2,5-dihydrothiopyran is sourced from PubChem (CID 12669522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).