3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran

C8H14S2 — CID 12669527

IUPAC3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran
SMILESCSC1(C)CC=C(C)CS1
InChIInChI=1S/C8H14S2/c1-7-4-5-8(2,9-3)10-6-7/h4H,5-6H2,1-3H3
InChIKeyLACGPQIOMQEKBD-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.15
Rot. Bonds1

About 3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran

3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran (PubChem CID 12669527) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran.

Molecular Properties

Compound Name3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran
PubChem CID12669527
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran
SMILESCSC1(C)CC=C(C)CS1
InChIInChI=1S/C8H14S2/c1-7-4-5-8(2,9-3)10-6-7/h4H,5-6H2,1-3H3
InChIKeyLACGPQIOMQEKBD-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
7-Methyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 11194768
2-(4-Methylpent-3-enyl)-1,3-dithiane
CID 15059664
4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
Thiocyclohexane, 4-propylidene
CID 91748963
5-methyl-3,6-dihydro-2H-thiopyran
CID 640542
2-[(E)-pent-1-enyl]-1,3-dithiane
CID 11041517
2H-Thiopyran, 3,6-dihydro-2,2,4-trimethyl-
CID 12282559
6-Methyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 12669522
2-(Cyclohepta-1,3,5-trien-1-yl)-1,3-dithiane
CID 13070101
(E)-4-tert-butylsulfanyl-3-methylpent-2-ene
CID 17759101
2-Methyl-2-(4-methylpent-3-enyl)-1,3-dithiane
CID 21772660

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The IUPAC name of 3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran (CID 12669527) is 3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran.
What is the SMILES notation for 3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The canonical SMILES for 3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran is CSC1(C)CC=C(C)CS1.
What is the InChIKey of 3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
The InChIKey is LACGPQIOMQEKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-7-4-5-8(2,9-3)10-6-7/h4H,5-6H2,1-3H3.
What are the key properties of 3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran?
3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran has a molecular weight of 174.33 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-6-methylsulfanyl-2,5-dihydrothiopyran is sourced from PubChem (CID 12669527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).