[2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol

C7H12O2S — CID 130146687

IUPAC[2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol
SMILESOCC1C=CCSC1CO
InChIInChI=1S/C7H12O2S/c8-4-6-2-1-3-10-7(6)5-9/h1-2,6-9H,3-5H2
InChIKeyNGUREMIKVMXJDB-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.26
Rot. Bonds2

About [2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol

[2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol (PubChem CID 130146687) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol
PubChem CID130146687
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name[2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol
SMILESOCC1C=CCSC1CO
InChIInChI=1S/C7H12O2S/c8-4-6-2-1-3-10-7(6)5-9/h1-2,6-9H,3-5H2
InChIKeyNGUREMIKVMXJDB-UHFFFAOYSA-N
XLogP0.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

alpha-(Dihydro)thienylmethanol
CID 129879054
[(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol
CID 54547696
2-(5-methyl-2H-thiophen-5-yl)ethanol
CID 118437192
3,6-dihydro-2H-thiopyran-3-ylmethanediol
CID 140459749
[4-(Hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol
CID 19792751
3,6-dihydro-2H-thiopyran-3-ylmethanol
CID 102082775
(Z)-4-(thiolan-3-yl)but-3-en-1-ol
CID 117267314
(1S)-1-[(3S)-3,6-dihydro-2H-thiopyran-3-yl]ethane-1,2-diol
CID 130756875
[(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol
CID 130891727

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol (CID 130146687) is [2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol is OCC1C=CCSC1CO.
What is the InChIKey of [2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol?
The InChIKey is NGUREMIKVMXJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c8-4-6-2-1-3-10-7(6)5-9/h1-2,6-9H,3-5H2.
What are the key properties of [2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol?
[2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol has a molecular weight of 160.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol is sourced from PubChem (CID 130146687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).