4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran

C7H12S2 — CID 20605808

IUPAC4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran
SMILESCSC1=C(C)CCSC1
InChIInChI=1S/C7H12S2/c1-6-3-4-9-5-7(6)8-2/h3-5H2,1-2H3
InChIKeyXWLDACOZGFPKNM-UHFFFAOYSA-N
MW160.31 g/mol
LogP2.76
Rot. Bonds1

About 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran

4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran (PubChem CID 20605808) has the molecular formula C7H12S2 and a molecular weight of 160.31 g/mol. Its IUPAC name is 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran
PubChem CID20605808
Molecular FormulaC7H12S2
Molecular Weight160.31 g/mol
Exact Mass160.04
IUPAC Name4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran
SMILESCSC1=C(C)CCSC1
InChIInChI=1S/C7H12S2/c1-6-3-4-9-5-7(6)8-2/h3-5H2,1-2H3
InChIKeyXWLDACOZGFPKNM-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

Analyze 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 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

4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
2.3-Dihydro-5-methyl-6-athyl-1.4-dithiin
CID 12920047
4,5-Dimethyl-2,3-dihydrothiophene
CID 14041180
4-Ethyl-5-methyl-2,3-dihydrothiophene
CID 15709709
5,6-dimethyl-3,4-dihydro-2H-thiopyran
CID 15709713
3,4-Dimethyl-5,6-dihydro-2h-thiopyran
CID 23530091
Thiocyclohexane, 4-isopropylidene
CID 68355606
5-methyl-3,6-dihydro-2H-thiopyran
CID 640542
2,4,5-Trimethyl-3,6-dihydro-2H-thiopyran
CID 12792225
2,3,4,6-Tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 134988748
5-Ethyl-2,6-dimethyl-2,3-dihydro-1,4-dithiine
CID 12920055
6-Ethyl-2,5-dimethyl-2,3-dihydro-1,4-dithiine
CID 12920056

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran (CID 20605808) is 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran is CSC1=C(C)CCSC1.
What is the InChIKey of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran?
The InChIKey is XWLDACOZGFPKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S2/c1-6-3-4-9-5-7(6)8-2/h3-5H2,1-2H3.
What are the key properties of 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran?
4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran 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 4-methyl-5-methylsulfanyl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 20605808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).