5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole

C13H9BrClN2PS — CID 15761695

IUPAC5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole
SMILESClP1SC(c2ccc(Br)cc2)=NN1c1ccccc1
InChIInChI=1S/C13H9BrClN2PS/c14-11-8-6-10(7-9-11)13-16-17(18(15)19-13)12-4-2-1-3-5-12/h1-9H
InChIKeyVZUFELYZPVWRMF-UHFFFAOYSA-N
MW371.63 g/mol
LogP5.83
Rot. Bonds2

About 5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole

5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole (PubChem CID 15761695) has the molecular formula C13H9BrClN2PS and a molecular weight of 371.63 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole
PubChem CID15761695
Molecular FormulaC13H9BrClN2PS
Molecular Weight371.63 g/mol
Exact Mass369.91
IUPAC Name5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole
SMILESClP1SC(c2ccc(Br)cc2)=NN1c1ccccc1
InChIInChI=1S/C13H9BrClN2PS/c14-11-8-6-10(7-9-11)13-16-17(18(15)19-13)12-4-2-1-3-5-12/h1-9H
InChIKeyVZUFELYZPVWRMF-UHFFFAOYSA-N
XLogP5.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.63
LogP ≤ 55.83
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

4-Bromobenzaldehyde phenylhydrazone
CID 9602351
Benzoyl chloride, p-bromo-, phenylhydrazone
CID 9570440
N-[(4-bromophenyl)methylideneamino]aniline
CID 564223
4-Bromo-N-phenylbenzenecarbohydrazonoyl chloride
CID 33247
N-[(Z)-(4-bromophenyl)methylideneamino]aniline
CID 5368711
2-(4-Bromophenyl)-1,1-dichloro-1lambda4,3-benzotellurazole
CID 14248305
5-Benzyl-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole
CID 15761690
2-Chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole
CID 15761693
5-(4-Bromophenyl)-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912514
N-[(E)-1-(4-bromophenyl)ethylideneamino]aniline
CID 11323709
N-[1-(4-bromophenyl)ethylideneamino]aniline
CID 72780798
(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride
CID 5360801

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole?
The IUPAC name of 5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole (CID 15761695) is 5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole.
What is the SMILES notation for 5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole?
The canonical SMILES for 5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole is ClP1SC(c2ccc(Br)cc2)=NN1c1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole?
The InChIKey is VZUFELYZPVWRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN2PS/c14-11-8-6-10(7-9-11)13-16-17(18(15)19-13)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole?
5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole has a molecular weight of 371.63 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole is sourced from PubChem (CID 15761695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).