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

C6H10S — CID 12570888

IUPAC2-methyl-3,4-dihydro-2H-thiopyran
SMILESCC1CCC=CS1
InChIInChI=1S/C6H10S/c1-6-4-2-3-5-7-6/h3,5-6H,2,4H2,1H3
InChIKeyGTLAOJJPHDNZIH-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.42
Rot. Bonds

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

2-methyl-3,4-dihydro-2H-thiopyran (PubChem CID 12570888) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-thiopyran
PubChem CID12570888
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name2-methyl-3,4-dihydro-2H-thiopyran
SMILESCC1CCC=CS1
InChIInChI=1S/C6H10S/c1-6-4-2-3-5-7-6/h3,5-6H,2,4H2,1H3
InChIKeyGTLAOJJPHDNZIH-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 2-methyl-3,4-dihydro-2H-thiopyran (CID 12570888) is 2-methyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-thiopyran is CC1CCC=CS1.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-thiopyran?
The InChIKey is GTLAOJJPHDNZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-6-4-2-3-5-7-6/h3,5-6H,2,4H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-2H-thiopyran?
2-methyl-3,4-dihydro-2H-thiopyran has a molecular weight of 114.21 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 12570888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).