[(3S,4R)-4-methylthiolan-3-yl]methanol

C6H12OS — CID 90444159

IUPAC[(3S,4R)-4-methylthiolan-3-yl]methanol
SMILESC[C@H]1CSC[C@@H]1CO
InChIInChI=1S/C6H12OS/c1-5-3-8-4-6(5)2-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyCOSIUNSNAMOBTK-WDSKDSINSA-N
MW132.23 g/mol
LogP0.98
Rot. Bonds1

About [(3S,4R)-4-methylthiolan-3-yl]methanol

[(3S,4R)-4-methylthiolan-3-yl]methanol (PubChem CID 90444159) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is [(3S,4R)-4-methylthiolan-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4R)-4-methylthiolan-3-yl]methanol
PubChem CID90444159
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name[(3S,4R)-4-methylthiolan-3-yl]methanol
SMILESC[C@H]1CSC[C@@H]1CO
InChIInChI=1S/C6H12OS/c1-5-3-8-4-6(5)2-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyCOSIUNSNAMOBTK-WDSKDSINSA-N
XLogP0.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-methylthiolan-3-yl]methanol?
The IUPAC name of [(3S,4R)-4-methylthiolan-3-yl]methanol (CID 90444159) is [(3S,4R)-4-methylthiolan-3-yl]methanol.
What is the SMILES notation for [(3S,4R)-4-methylthiolan-3-yl]methanol?
The canonical SMILES for [(3S,4R)-4-methylthiolan-3-yl]methanol is C[C@H]1CSC[C@@H]1CO.
What is the InChIKey of [(3S,4R)-4-methylthiolan-3-yl]methanol?
The InChIKey is COSIUNSNAMOBTK-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12OS/c1-5-3-8-4-6(5)2-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of [(3S,4R)-4-methylthiolan-3-yl]methanol?
[(3S,4R)-4-methylthiolan-3-yl]methanol has a molecular weight of 132.23 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-methylthiolan-3-yl]methanol is sourced from PubChem (CID 90444159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).