2,5-diphenyl-1,3,4-thiazaphosphole

C14H10NPS — CID 13383241

IUPAC2,5-diphenyl-1,3,4-thiazaphosphole
SMILESc1ccc(-c2npc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H10NPS/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H
InChIKeyHHQLXWHXNCNLSB-UHFFFAOYSA-N
MW255.28 g/mol
LogP5.06
Rot. Bonds2

About 2,5-diphenyl-1,3,4-thiazaphosphole

2,5-diphenyl-1,3,4-thiazaphosphole (PubChem CID 13383241) has the molecular formula C14H10NPS and a molecular weight of 255.28 g/mol. Its IUPAC name is 2,5-diphenyl-1,3,4-thiazaphosphole.

Molecular Properties

Compound Name2,5-diphenyl-1,3,4-thiazaphosphole
PubChem CID13383241
Molecular FormulaC14H10NPS
Molecular Weight255.28 g/mol
Exact Mass255.03
IUPAC Name2,5-diphenyl-1,3,4-thiazaphosphole
SMILESc1ccc(-c2npc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H10NPS/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H
InChIKeyHHQLXWHXNCNLSB-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.28
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 22482115
2,5-Bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
2-Cyclohexyl-5-phenyl-1,3,4-thiadiazole
CID 134968046
2-Phenyl-5-m-tolyl-1,3,4-thiadiazole
CID 139674346
2,5-Bis(4-fluorophenyl)-1,3,4-thiadiazole
CID 12130807
2,5-Bis(2-fluorophenyl)-1,3,4-thiadiazole
CID 139674304
2-(2-Fluorophenyl)-5-phenyl-1,3,4-thiadiazole
CID 139674306
2-(4-Fluorophenyl)-5-phenyl-1,3,4-thiadiazole
CID 139674320
2-(3-Fluorophenyl)-5-phenyl-1,3,4-thiadiazole
CID 139674334
2,5-Bis(3-fluorophenyl)-1,3,4-thiadiazole
CID 139674362
3,5-Diphenyl-1,2,4-thiazaphosphole
CID 14148104

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1,3,4-thiazaphosphole?
The IUPAC name of 2,5-diphenyl-1,3,4-thiazaphosphole (CID 13383241) is 2,5-diphenyl-1,3,4-thiazaphosphole.
What is the SMILES notation for 2,5-diphenyl-1,3,4-thiazaphosphole?
The canonical SMILES for 2,5-diphenyl-1,3,4-thiazaphosphole is c1ccc(-c2npc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2,5-diphenyl-1,3,4-thiazaphosphole?
The InChIKey is HHQLXWHXNCNLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10NPS/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2,5-diphenyl-1,3,4-thiazaphosphole?
2,5-diphenyl-1,3,4-thiazaphosphole has a molecular weight of 255.28 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1,3,4-thiazaphosphole is sourced from PubChem (CID 13383241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).