2-methyl-3,6-dihydro-2H-thiopyran-6-ol

C6H10OS — CID 89410051

IUPAC2-methyl-3,6-dihydro-2H-thiopyran-6-ol
SMILESCC1CC=CC(O)S1
InChIInChI=1S/C6H10OS/c1-5-3-2-4-6(7)8-5/h2,4-7H,3H2,1H3
InChIKeySBHCUQHAMPSGDH-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.39
Rot. Bonds

About 2-methyl-3,6-dihydro-2H-thiopyran-6-ol

2-methyl-3,6-dihydro-2H-thiopyran-6-ol (PubChem CID 89410051) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-methyl-3,6-dihydro-2H-thiopyran-6-ol.

Molecular Properties

Compound Name2-methyl-3,6-dihydro-2H-thiopyran-6-ol
PubChem CID89410051
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-methyl-3,6-dihydro-2H-thiopyran-6-ol
SMILESCC1CC=CC(O)S1
InChIInChI=1S/C6H10OS/c1-5-3-2-4-6(7)8-5/h2,4-7H,3H2,1H3
InChIKeySBHCUQHAMPSGDH-UHFFFAOYSA-N
XLogP1.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,6-dihydro-2H-thiopyran-6-ol?
The IUPAC name of 2-methyl-3,6-dihydro-2H-thiopyran-6-ol (CID 89410051) is 2-methyl-3,6-dihydro-2H-thiopyran-6-ol.
What is the SMILES notation for 2-methyl-3,6-dihydro-2H-thiopyran-6-ol?
The canonical SMILES for 2-methyl-3,6-dihydro-2H-thiopyran-6-ol is CC1CC=CC(O)S1.
What is the InChIKey of 2-methyl-3,6-dihydro-2H-thiopyran-6-ol?
The InChIKey is SBHCUQHAMPSGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-3-2-4-6(7)8-5/h2,4-7H,3H2,1H3.
What are the key properties of 2-methyl-3,6-dihydro-2H-thiopyran-6-ol?
2-methyl-3,6-dihydro-2H-thiopyran-6-ol has a molecular weight of 130.21 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,6-dihydro-2H-thiopyran-6-ol is sourced from PubChem (CID 89410051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).