(4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione

C5H8OS2 — CID 132992537

IUPAC(4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione
SMILESC[C@H]1OC(=S)S[C@@H]1C
InChIInChI=1S/C5H8OS2/c1-3-4(2)8-5(7)6-3/h3-4H,1-2H3/t3-,4-/m1/s1
InChIKeyAXGKKFZNKXZQHA-QWWZWVQMSA-N
MW148.25 g/mol
LogP1.81
Rot. Bonds

About (4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione

(4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione (PubChem CID 132992537) has the molecular formula C5H8OS2 and a molecular weight of 148.25 g/mol. Its IUPAC name is (4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione.

Molecular Properties

Compound Name(4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione
PubChem CID132992537
Molecular FormulaC5H8OS2
Molecular Weight148.25 g/mol
Exact Mass148.00
IUPAC Name(4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione
SMILESC[C@H]1OC(=S)S[C@@H]1C
InChIInChI=1S/C5H8OS2/c1-3-4(2)8-5(7)6-3/h3-4H,1-2H3/t3-,4-/m1/s1
InChIKeyAXGKKFZNKXZQHA-QWWZWVQMSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbonodithioic acid, S-ethyl O-(1-methylethyl) ester
CID 539987
1,3-Bis(methylthio)-2-methoxypropane
CID 520544
Carbonic acid, dithio-, O,S-diisopropyl ester
CID 536604
s-Butyl o-ethyl carbonodithioate
CID 234019
5-Methyl-1,3-oxathiolane
CID 568741
5-Ethyl-1,3-oxathiolane-2-thione
CID 14024146
5-Butyl-1,3-oxathiolane-2-thione
CID 20164713
5-(Propan-2-yloxymethyl)-1,3-oxathiolane-2-thione
CID 86200493
5-Methyl-1,3-oxathiolane-2-thione
CID 11434975
(r,s)-3-Methoxy-tetrahydro-thiophene
CID 19899984
5-Propyl-1,3-oxathiolane
CID 21540543
4,5-Dimethyl-1,3-oxathiolane
CID 54547512

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione?
The IUPAC name of (4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione (CID 132992537) is (4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione.
What is the SMILES notation for (4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione?
The canonical SMILES for (4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione is C[C@H]1OC(=S)S[C@@H]1C.
What is the InChIKey of (4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione?
The InChIKey is AXGKKFZNKXZQHA-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H8OS2/c1-3-4(2)8-5(7)6-3/h3-4H,1-2H3/t3-,4-/m1/s1.
What are the key properties of (4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione?
(4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione has a molecular weight of 148.25 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dimethyl-1,3-oxathiolane-2-thione is sourced from PubChem (CID 132992537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).