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

C5H10OS — CID 11819076

IUPAC(3R,4S)-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+/m1/s1
InChIKeyFJKFLHDRFQNJLY-UHNVWZDZSA-N
MW118.20 g/mol
LogP0.73
Rot. Bonds

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

(3R,4S)-4-methylthiolan-3-ol (PubChem CID 11819076) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (3R,4S)-4-methylthiolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-methylthiolan-3-ol
PubChem CID11819076
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(3R,4S)-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+/m1/s1
InChIKeyFJKFLHDRFQNJLY-UHNVWZDZSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methylthiolan-3-ol?
The IUPAC name of (3R,4S)-4-methylthiolan-3-ol (CID 11819076) is (3R,4S)-4-methylthiolan-3-ol.
What is the SMILES notation for (3R,4S)-4-methylthiolan-3-ol?
The canonical SMILES for (3R,4S)-4-methylthiolan-3-ol is C[C@@H]1CSC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-methylthiolan-3-ol?
The InChIKey is FJKFLHDRFQNJLY-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H10OS/c1-4-2-7-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of (3R,4S)-4-methylthiolan-3-ol?
(3R,4S)-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 (3R,4S)-4-methylthiolan-3-ol is sourced from PubChem (CID 11819076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).