(2R,3S)-2,3-dimethylthietane

C5H10S — CID 162937178

IUPAC(2R,3S)-2,3-dimethylthietane
SMILESC[C@H]1CS[C@@H]1C
InChIInChI=1S/C5H10S/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyUOELDFAOGQTJNM-CRCLSJGQSA-N
MW102.20 g/mol
LogP1.76
Rot. Bonds

About (2R,3S)-2,3-dimethylthietane

(2R,3S)-2,3-dimethylthietane (PubChem CID 162937178) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethylthietane.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethylthietane
PubChem CID162937178
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name(2R,3S)-2,3-dimethylthietane
SMILESC[C@H]1CS[C@@H]1C
InChIInChI=1S/C5H10S/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeyUOELDFAOGQTJNM-CRCLSJGQSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,3S)-2,3-dimethylthietane 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

(2R)-2,3-dimethylthietane
CID 130381786
3,4-dimethylthiolan-2-amine
CID 167002607
(2R)-2-methyl-3-propan-2-ylthietane
CID 118612980
(4R,5R)-4,5-dimethyl-1,3-dithiolane
CID 135251680
(2R)-2,3-dimethylthiolane
CID 170182644
2-methylthiirane;thiirane
CID 22367971
(2S,4S)-2,4-dimethyl-1,3-thiazolidine
CID 55287644
5,6-dimethyl-1,4-dithiane-2-carbaldehyde
CID 130591103
(3R,5R)-3,5-dimethylthiomorpholine
CID 13077511
(3S)-9-methyl-4-thiatricyclo[6.2.2.13,6]tridecane
CID 146233668
4-methyl-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-2-one
CID 91518906
cyclopropyl-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345165

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dimethylthietane?
The IUPAC name of (2R,3S)-2,3-dimethylthietane (CID 162937178) is (2R,3S)-2,3-dimethylthietane.
What is the SMILES notation for (2R,3S)-2,3-dimethylthietane?
The canonical SMILES for (2R,3S)-2,3-dimethylthietane is C[C@H]1CS[C@@H]1C.
What is the InChIKey of (2R,3S)-2,3-dimethylthietane?
The InChIKey is UOELDFAOGQTJNM-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H10S/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of (2R,3S)-2,3-dimethylthietane?
(2R,3S)-2,3-dimethylthietane has a molecular weight of 102.20 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dimethylthietane is sourced from PubChem (CID 162937178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).