4-methyl-3,4-dihydro-2H-thiopyran 1-oxide

C6H10OS — CID 91099776

IUPAC4-methyl-3,4-dihydro-2H-thiopyran 1-oxide
SMILESCC1C=CS(=O)CC1
InChIInChI=1S/C6H10OS/c1-6-2-4-8(7)5-3-6/h2,4,6H,3,5H2,1H3
InChIKeyBSOMUSVMYAFAQK-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.29
Rot. Bonds

About 4-methyl-3,4-dihydro-2H-thiopyran 1-oxide

4-methyl-3,4-dihydro-2H-thiopyran 1-oxide (PubChem CID 91099776) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-methyl-3,4-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name4-methyl-3,4-dihydro-2H-thiopyran 1-oxide
PubChem CID91099776
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4-methyl-3,4-dihydro-2H-thiopyran 1-oxide
SMILESCC1C=CS(=O)CC1
InChIInChI=1S/C6H10OS/c1-6-2-4-8(7)5-3-6/h2,4,6H,3,5H2,1H3
InChIKeyBSOMUSVMYAFAQK-UHFFFAOYSA-N
XLogP1.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-3,4-dihydro-2H-thiopyran 1-oxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of 4-methyl-3,4-dihydro-2H-thiopyran 1-oxide (CID 91099776) is 4-methyl-3,4-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for 4-methyl-3,4-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for 4-methyl-3,4-dihydro-2H-thiopyran 1-oxide is CC1C=CS(=O)CC1.
What is the InChIKey of 4-methyl-3,4-dihydro-2H-thiopyran 1-oxide?
The InChIKey is BSOMUSVMYAFAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-6-2-4-8(7)5-3-6/h2,4,6H,3,5H2,1H3.
What are the key properties of 4-methyl-3,4-dihydro-2H-thiopyran 1-oxide?
4-methyl-3,4-dihydro-2H-thiopyran 1-oxide has a molecular weight of 130.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 91099776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).