3,6-dihydro-2H-thiopyran-3-ylmethanol

C6H10OS — CID 102082775

IUPAC3,6-dihydro-2H-thiopyran-3-ylmethanol
SMILESOCC1C=CCSC1
InChIInChI=1S/C6H10OS/c7-4-6-2-1-3-8-5-6/h1-2,6-7H,3-5H2
InChIKeyGYQXLDSTMHBZTE-UHFFFAOYSA-N
MW130.21 g/mol
LogP0.90
Rot. Bonds1

About 3,6-dihydro-2H-thiopyran-3-ylmethanol

3,6-dihydro-2H-thiopyran-3-ylmethanol (PubChem CID 102082775) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 3,6-dihydro-2H-thiopyran-3-ylmethanol.

Molecular Properties

Compound Name3,6-dihydro-2H-thiopyran-3-ylmethanol
PubChem CID102082775
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name3,6-dihydro-2H-thiopyran-3-ylmethanol
SMILESOCC1C=CCSC1
InChIInChI=1S/C6H10OS/c7-4-6-2-1-3-8-5-6/h1-2,6-7H,3-5H2
InChIKeyGYQXLDSTMHBZTE-UHFFFAOYSA-N
XLogP0.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dihydro-2-thiophenemethanol
CID 12589175
2-Hydroxymethyl-4-methyl-2,5-dihydrothiophene
CID 12589176
2-Hydroxymethyl-5-methyl-2,5-dihydrothiophene
CID 12589177
2-(2,5-Dihydrothiophen-3-yl)ethanol
CID 20623011
2,3-Dihydrothiophen-3-ylmethanol
CID 66580551
2-(2,3-Dihydrothiophen-5-yl)ethanol
CID 89343424
(E)-3-ethenylsulfanylpent-3-en-1-ol
CID 118297060
2-(3,4-dihydro-2H-thiopyran-6-yl)ethanol
CID 123656565
3,6-dihydro-2H-thiopyran-3-ylmethanediol
CID 140459749
(5-Methyl-2,3-dihydrothiophen-3-yl)methanol
CID 163822537
3,6-dihydro-2H-thiopyran-2-ol
CID 175748087
[(2R)-2,5-dihydrothiophen-2-yl]methanol
CID 10909545

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-thiopyran-3-ylmethanol?
The IUPAC name of 3,6-dihydro-2H-thiopyran-3-ylmethanol (CID 102082775) is 3,6-dihydro-2H-thiopyran-3-ylmethanol.
What is the SMILES notation for 3,6-dihydro-2H-thiopyran-3-ylmethanol?
The canonical SMILES for 3,6-dihydro-2H-thiopyran-3-ylmethanol is OCC1C=CCSC1.
What is the InChIKey of 3,6-dihydro-2H-thiopyran-3-ylmethanol?
The InChIKey is GYQXLDSTMHBZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c7-4-6-2-1-3-8-5-6/h1-2,6-7H,3-5H2.
What are the key properties of 3,6-dihydro-2H-thiopyran-3-ylmethanol?
3,6-dihydro-2H-thiopyran-3-ylmethanol has a molecular weight of 130.21 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-thiopyran-3-ylmethanol is sourced from PubChem (CID 102082775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).