(4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium

C10H14ClNOPS+ — CID 59024918

IUPAC(4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium
SMILESC[C@H]1[C@@H](c2ccccc2)O[P+](S)(Cl)N1C
InChIInChI=1S/C10H14ClNOPS/c1-8-10(9-6-4-3-5-7-9)13-14(11,15)12(8)2/h3-8,10,15H,1-2H3/q+1/t8-,10-,14?/m0/s1
InChIKeyCVJJIOMJZMXUME-MYWFGVANSA-N
MW262.72 g/mol
LogP3.92
Rot. Bonds1

About (4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium

(4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium (PubChem CID 59024918) has the molecular formula C10H14ClNOPS+ and a molecular weight of 262.72 g/mol. Its IUPAC name is (4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium.

Molecular Properties

Compound Name(4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium
PubChem CID59024918
Molecular FormulaC10H14ClNOPS+
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name(4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium
SMILESC[C@H]1[C@@H](c2ccccc2)O[P+](S)(Cl)N1C
InChIInChI=1S/C10H14ClNOPS/c1-8-10(9-6-4-3-5-7-9)13-14(11,15)12(8)2/h3-8,10,15H,1-2H3/q+1/t8-,10-,14?/m0/s1
InChIKeyCVJJIOMJZMXUME-MYWFGVANSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium 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 (4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium?
The IUPAC name of (4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium (CID 59024918) is (4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium.
What is the SMILES notation for (4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium?
The canonical SMILES for (4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium is C[C@H]1[C@@H](c2ccccc2)O[P+](S)(Cl)N1C.
What is the InChIKey of (4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium?
The InChIKey is CVJJIOMJZMXUME-MYWFGVANSA-N. The full InChI is InChI=1S/C10H14ClNOPS/c1-8-10(9-6-4-3-5-7-9)13-14(11,15)12(8)2/h3-8,10,15H,1-2H3/q+1/t8-,10-,14?/m0/s1.
What are the key properties of (4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium?
(4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium has a molecular weight of 262.72 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-chloro-3,4-dimethyl-5-phenyl-2-sulfanyl-1,3,2-oxazaphospholidin-2-ium is sourced from PubChem (CID 59024918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).