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

C7H12O2S — CID 54547696

IUPAC[(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol
SMILESCSC1=C[C@@H](CO)[C@@H]1CO
InChIInChI=1S/C7H12O2S/c1-10-7-2-5(3-8)6(7)4-9/h2,5-6,8-9H,3-4H2,1H3/t5-,6-/m0/s1
InChIKeyZHRYEUJEIQNDSY-WDSKDSINSA-N
MW160.24 g/mol
LogP0.46
Rot. Bonds3

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

[(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol (PubChem CID 54547696) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is [(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol
PubChem CID54547696
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name[(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol
SMILESCSC1=C[C@@H](CO)[C@@H]1CO
InChIInChI=1S/C7H12O2S/c1-10-7-2-5(3-8)6(7)4-9/h2,5-6,8-9H,3-4H2,1H3/t5-,6-/m0/s1
InChIKeyZHRYEUJEIQNDSY-WDSKDSINSA-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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Frequently Asked Questions

What is the IUPAC name of [(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol?
The IUPAC name of [(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol (CID 54547696) is [(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol is CSC1=C[C@@H](CO)[C@@H]1CO.
What is the InChIKey of [(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol?
The InChIKey is ZHRYEUJEIQNDSY-WDSKDSINSA-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/t5-,6-/m0/s1.
What are the key properties of [(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol?
[(1R,4R)-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 [(1R,4R)-4-(hydroxymethyl)-3-methylsulfanylcyclobut-2-en-1-yl]methanol is sourced from PubChem (CID 54547696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).