(2R,3R)-2,3-dimethylthiirane 1-oxide

C4H8OS — CID 134881962

IUPAC(2R,3R)-2,3-dimethylthiirane 1-oxide
SMILESC[C@@H]1[C@@H](C)S1=O
InChIInChI=1S/C4H8OS/c1-3-4(2)6(3)5/h3-4H,1-2H3/t3-,4-/m1/s1
InChIKeyBEJQKMBWMNSVPC-QWWZWVQMSA-N
MW104.17 g/mol
LogP0.53
Rot. Bonds

About (2R,3R)-2,3-dimethylthiirane 1-oxide

(2R,3R)-2,3-dimethylthiirane 1-oxide (PubChem CID 134881962) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethylthiirane 1-oxide.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethylthiirane 1-oxide
PubChem CID134881962
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name(2R,3R)-2,3-dimethylthiirane 1-oxide
SMILESC[C@@H]1[C@@H](C)S1=O
InChIInChI=1S/C4H8OS/c1-3-4(2)6(3)5/h3-4H,1-2H3/t3-,4-/m1/s1
InChIKeyBEJQKMBWMNSVPC-QWWZWVQMSA-N
XLogP0.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3R)-2,3-dimethylthiirane 1-oxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethylthiirane 1-oxide?
The IUPAC name of (2R,3R)-2,3-dimethylthiirane 1-oxide (CID 134881962) is (2R,3R)-2,3-dimethylthiirane 1-oxide.
What is the SMILES notation for (2R,3R)-2,3-dimethylthiirane 1-oxide?
The canonical SMILES for (2R,3R)-2,3-dimethylthiirane 1-oxide is C[C@@H]1[C@@H](C)S1=O.
What is the InChIKey of (2R,3R)-2,3-dimethylthiirane 1-oxide?
The InChIKey is BEJQKMBWMNSVPC-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H8OS/c1-3-4(2)6(3)5/h3-4H,1-2H3/t3-,4-/m1/s1.
What are the key properties of (2R,3R)-2,3-dimethylthiirane 1-oxide?
(2R,3R)-2,3-dimethylthiirane 1-oxide has a molecular weight of 104.17 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dimethylthiirane 1-oxide is sourced from PubChem (CID 134881962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).