(2S,3R)-2-methylthiolan-3-ol

C5H10OS — CID 56991911

IUPAC(2S,3R)-2-methylthiolan-3-ol
SMILESC[C@@H]1SCC[C@H]1O
InChIInChI=1S/C5H10OS/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyHAUQWGSXLBQNPN-CRCLSJGQSA-N
MW118.20 g/mol
LogP0.87
Rot. Bonds

About (2S,3R)-2-methylthiolan-3-ol

(2S,3R)-2-methylthiolan-3-ol (PubChem CID 56991911) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (2S,3R)-2-methylthiolan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-methylthiolan-3-ol
PubChem CID56991911
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(2S,3R)-2-methylthiolan-3-ol
SMILESC[C@@H]1SCC[C@H]1O
InChIInChI=1S/C5H10OS/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyHAUQWGSXLBQNPN-CRCLSJGQSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methylthiolan-3-ol?
The IUPAC name of (2S,3R)-2-methylthiolan-3-ol (CID 56991911) is (2S,3R)-2-methylthiolan-3-ol.
What is the SMILES notation for (2S,3R)-2-methylthiolan-3-ol?
The canonical SMILES for (2S,3R)-2-methylthiolan-3-ol is C[C@@H]1SCC[C@H]1O.
What is the InChIKey of (2S,3R)-2-methylthiolan-3-ol?
The InChIKey is HAUQWGSXLBQNPN-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of (2S,3R)-2-methylthiolan-3-ol?
(2S,3R)-2-methylthiolan-3-ol has a molecular weight of 118.20 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methylthiolan-3-ol is sourced from PubChem (CID 56991911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).