(3S,4R)-4-methylthiolan-3-ol

C5H10OS — CID 10374449

IUPAC(3S,4R)-4-methylthiolan-3-ol
SMILESC[C@H]1CSC[C@H]1O
InChIInChI=1S/C5H10OS/c1-4-2-7-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyFJKFLHDRFQNJLY-CRCLSJGQSA-N
MW118.20 g/mol
LogP0.73
Rot. Bonds

About (3S,4R)-4-methylthiolan-3-ol

(3S,4R)-4-methylthiolan-3-ol (PubChem CID 10374449) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (3S,4R)-4-methylthiolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-methylthiolan-3-ol
PubChem CID10374449
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(3S,4R)-4-methylthiolan-3-ol
SMILESC[C@H]1CSC[C@H]1O
InChIInChI=1S/C5H10OS/c1-4-2-7-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyFJKFLHDRFQNJLY-CRCLSJGQSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;(3R,4S)-thiolane-3,4-diol
CID 71412938
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
4-methoxythiolan-3-ol
CID 18953082
4-sulfanylthiolan-3-ol
CID 12895930
(3S,4R)-4-aminothiolan-3-ol
CID 1361798
(3S,4R)-4-methylthiolan-3-amine
CID 55284315
tetrakis(thietan-3-ol);zirconium
CID 140598106
(3aR,4S,8R,8aS)-2,2-dimethyl-3a,4,5,7,8,8a-hexahydrothiepino[4,5-d][1,3]dioxole-4,8-diol
CID 11368010
3-methyl-4-propan-2-ylthiolane
CID 59596318
4-(hydroxymethyl)thiolan-3-ol
CID 83815069
1-(4-hydroxythiolan-3-yl)propan-2-one
CID 115012609

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methylthiolan-3-ol?
The IUPAC name of (3S,4R)-4-methylthiolan-3-ol (CID 10374449) is (3S,4R)-4-methylthiolan-3-ol.
What is the SMILES notation for (3S,4R)-4-methylthiolan-3-ol?
The canonical SMILES for (3S,4R)-4-methylthiolan-3-ol is C[C@H]1CSC[C@H]1O.
What is the InChIKey of (3S,4R)-4-methylthiolan-3-ol?
The InChIKey is FJKFLHDRFQNJLY-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-2-7-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of (3S,4R)-4-methylthiolan-3-ol?
(3S,4R)-4-methylthiolan-3-ol has a molecular weight of 118.20 g/mol, XLogP of 0.73, 0 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-ol is sourced from PubChem (CID 10374449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).