[4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol

C7H12O2S — CID 19792751

IUPAC[4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol
SMILESCSC1=CC(CO)C1CO
InChIInChI=1S/C7H12O2S/c1-10-7-2-5(3-8)6(7)4-9/h2,5-6,8-9H,3-4H2,1H3
InChIKeyZHRYEUJEIQNDSY-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.46
Rot. Bonds3

About [4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol

[4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol (PubChem CID 19792751) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is [4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol
PubChem CID19792751
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name[4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol
SMILESCSC1=CC(CO)C1CO
InChIInChI=1S/C7H12O2S/c1-10-7-2-5(3-8)6(7)4-9/h2,5-6,8-9H,3-4H2,1H3
InChIKeyZHRYEUJEIQNDSY-UHFFFAOYSA-N
XLogP0.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol
CID 54547696
[2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol
CID 130146687
[(2R,3S)-2-(hydroxymethyl)-3,6-dihydro-2H-thiopyran-3-yl]methanol
CID 130891727

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol (CID 19792751) is [4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol is CSC1=CC(CO)C1CO.
What is the InChIKey of [4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol?
The InChIKey is ZHRYEUJEIQNDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-10-7-2-5(3-8)6(7)4-9/h2,5-6,8-9H,3-4H2,1H3.
What are the key properties of [4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol?
[4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol has a molecular weight of 160.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol is sourced from PubChem (CID 19792751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).