2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole

C13H10ClN2PS — CID 15761693

IUPAC2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole
SMILESClP1SC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C13H10ClN2PS/c14-17-16(12-9-5-2-6-10-12)15-13(18-17)11-7-3-1-4-8-11/h1-10H
InChIKeyGNTZQOSEHWXFQI-UHFFFAOYSA-N
MW292.73 g/mol
LogP5.07
Rot. Bonds2

About 2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole

2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole (PubChem CID 15761693) has the molecular formula C13H10ClN2PS and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole.

Molecular Properties

Compound Name2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole
PubChem CID15761693
Molecular FormulaC13H10ClN2PS
Molecular Weight292.73 g/mol
Exact Mass292.00
IUPAC Name2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole
SMILESClP1SC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C13H10ClN2PS/c14-17-16(12-9-5-2-6-10-12)15-13(18-17)11-7-3-1-4-8-11/h1-10H
InChIKeyGNTZQOSEHWXFQI-UHFFFAOYSA-N
XLogP5.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.73
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylbenzenecarbohydrazonoyl chloride
CID 7290563
Benzenecarboximidic acid, 2-phenylhydrazide, monohydrochloride
CID 9578610
Benzoyl chloride phenylhydrazone
CID 27278
Benzamid-phenylhydrazon
CID 6338223
AJ-797/37155021
CID 5203580
2,3,5-Triphenylchlorotetrazole
CID 14854159
N-dichlorophosphoryl-4-fluoro-N-phenylbenzenecarbohydrazonoyl chloride
CID 54495750
N-fluoro-N-[(E)-1-phenylethylideneamino]aniline
CID 175561413
3,5-Diphenyldithiadiazole 2-oxide
CID 142771214
3-Methyl-2,5-diphenyl-3,4-dihydro-2H-[1,2,4,3]triazaphosphole
CID 23414785
2,3,5-Triphenyl-3,4-dihydro-2H-[1,2,4,3]triazaphosphole
CID 23414795
3-Methyl-2,5-diphenyl-2,4-dihydro-[1,2,4,3]triazaphosphole 3-sulfide
CID 23415674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole?
The IUPAC name of 2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole (CID 15761693) is 2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole.
What is the SMILES notation for 2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole?
The canonical SMILES for 2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole is ClP1SC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole?
The InChIKey is GNTZQOSEHWXFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN2PS/c14-17-16(12-9-5-2-6-10-12)15-13(18-17)11-7-3-1-4-8-11/h1-10H.
What are the key properties of 2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole?
2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole has a molecular weight of 292.73 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole is sourced from PubChem (CID 15761693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).