3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole

C15H12NPS — CID 14148105

IUPAC3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole
SMILESCc1ccc(-c2nsc(-c3ccccc3)p2)cc1
InChIInChI=1S/C15H12NPS/c1-11-7-9-12(10-8-11)14-16-18-15(17-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyZHSKJUVVMWCUHF-UHFFFAOYSA-N
MW269.31 g/mol
LogP5.37
Rot. Bonds2

About 3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole

3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole (PubChem CID 14148105) has the molecular formula C15H12NPS and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole
PubChem CID14148105
Molecular FormulaC15H12NPS
Molecular Weight269.31 g/mol
Exact Mass269.04
IUPAC Name3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole
SMILESCc1ccc(-c2nsc(-c3ccccc3)p2)cc1
InChIInChI=1S/C15H12NPS/c1-11-7-9-12(10-8-11)14-16-18-15(17-14)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyZHSKJUVVMWCUHF-UHFFFAOYSA-N
XLogP5.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.31
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Diphenyl-1,2,4-thiazaphosphole
CID 14148104
5-(4-Methylphenyl)thiatriazole
CID 15121693
3-Phenyl-5-trimethylsilanyl-[1,2,4]thiazaphosphole
CID 14148101
5-Tert-butyl-3-phenyl-1,2,4-thiazaphosphole
CID 5325068
2,5-Diphenyl-1,3,4-thiazaphosphole
CID 13383241
Trimethyl-[3-(4-methylphenyl)-1,2,4-thiazaphosphol-5-yl]silane
CID 14148103
3,5-Diphenyl-1,4,2-dithiazol-4-ium
CID 85595615

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole?
The IUPAC name of 3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole (CID 14148105) is 3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole.
What is the SMILES notation for 3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole?
The canonical SMILES for 3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole is Cc1ccc(-c2nsc(-c3ccccc3)p2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole?
The InChIKey is ZHSKJUVVMWCUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12NPS/c1-11-7-9-12(10-8-11)14-16-18-15(17-14)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole?
3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole has a molecular weight of 269.31 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-phenyl-1,2,4-thiazaphosphole is sourced from PubChem (CID 14148105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).