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

C5H8OS — CID 560299

IUPAC3,4-dihydro-2H-thiopyran-4-ol
SMILESOC1C=CSCC1
InChIInChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1,3,5-6H,2,4H2
InChIKeyUZBSGGFPWXXAAY-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.00
Rot. Bonds

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

3,4-dihydro-2H-thiopyran-4-ol (PubChem CID 560299) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiopyran-4-ol.

Molecular Properties

Compound Name3,4-dihydro-2H-thiopyran-4-ol
PubChem CID560299
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name3,4-dihydro-2H-thiopyran-4-ol
SMILESOC1C=CSCC1
InChIInChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1,3,5-6H,2,4H2
InChIKeyUZBSGGFPWXXAAY-UHFFFAOYSA-N
XLogP1.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydrothiophene-3-ol
CID 67424077
6-(Methylthio)hexa-1,5-dien-3-ol
CID 5368094
1-(Thiiran-2-yl)prop-2-en-1-ol
CID 10011878
cis-1-Vinylthio-1-buten-3-ol
CID 13042451
Hydroxydihydro-2H-thiopyran-2-thion
CID 129646484
(Z)-1,2-bis(methylsulfanyl)pent-1-en-3-ol
CID 11309862
5-(Methylsulfanyl)pent-1-en-3-ol
CID 46866736
1-(2-Hydroxybut-3-enylsulfanyl)but-3-en-2-ol
CID 57299370
2-Methylidenethiolan-3-ol
CID 59525187
1-Methylsulfanylpent-4-en-2-ol
CID 62693386
1-Methylsulfanylhex-5-en-2-ol
CID 64316572
4H-thiopyran-4-ol;hydrochloride
CID 67075847

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiopyran-4-ol?
The IUPAC name of 3,4-dihydro-2H-thiopyran-4-ol (CID 560299) is 3,4-dihydro-2H-thiopyran-4-ol.
What is the SMILES notation for 3,4-dihydro-2H-thiopyran-4-ol?
The canonical SMILES for 3,4-dihydro-2H-thiopyran-4-ol is OC1C=CSCC1.
What is the InChIKey of 3,4-dihydro-2H-thiopyran-4-ol?
The InChIKey is UZBSGGFPWXXAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1,3,5-6H,2,4H2.
What are the key properties of 3,4-dihydro-2H-thiopyran-4-ol?
3,4-dihydro-2H-thiopyran-4-ol has a molecular weight of 116.18 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiopyran-4-ol is sourced from PubChem (CID 560299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).