2H-thiopyran-2-ol

C5H6OS — CID 20502095

IUPAC2H-thiopyran-2-ol
SMILESOC1C=CC=CS1
InChIInChI=1S/C5H6OS/c6-5-3-1-2-4-7-5/h1-6H
InChIKeySTPWNLMHORMEPR-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.12
Rot. Bonds

About 2H-thiopyran-2-ol

2H-thiopyran-2-ol (PubChem CID 20502095) has the molecular formula C5H6OS and a molecular weight of 114.17 g/mol. Its IUPAC name is 2H-thiopyran-2-ol.

Molecular Properties

Compound Name2H-thiopyran-2-ol
PubChem CID20502095
Molecular FormulaC5H6OS
Molecular Weight114.17 g/mol
Exact Mass114.01
IUPAC Name2H-thiopyran-2-ol
SMILESOC1C=CC=CS1
InChIInChI=1S/C5H6OS/c6-5-3-1-2-4-7-5/h1-6H
InChIKeySTPWNLMHORMEPR-UHFFFAOYSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(E)-1-methylsulfanylbut-2-en-1-ol
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6-methyl-2H-thiopyran-2-ol
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4-Methylsulfanylbut-2-en-1-ol
CID 54225570
2H-thiopyran-2,5-diol
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CID 89416206
2,5-Dihydrothiophen-2-ol
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(3Z,5Z,7Z)-2H-thiocin-2-ol
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(1-Oxothiophen-2-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of 2H-thiopyran-2-ol?
The IUPAC name of 2H-thiopyran-2-ol (CID 20502095) is 2H-thiopyran-2-ol.
What is the SMILES notation for 2H-thiopyran-2-ol?
The canonical SMILES for 2H-thiopyran-2-ol is OC1C=CC=CS1.
What is the InChIKey of 2H-thiopyran-2-ol?
The InChIKey is STPWNLMHORMEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS/c6-5-3-1-2-4-7-5/h1-6H.
What are the key properties of 2H-thiopyran-2-ol?
2H-thiopyran-2-ol has a molecular weight of 114.17 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thiopyran-2-ol is sourced from PubChem (CID 20502095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).