2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole

C17H12ClN2PS — CID 15761692

IUPAC2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole
SMILESClP1SC(c2cccc3ccccc23)=NN1c1ccccc1
InChIInChI=1S/C17H12ClN2PS/c18-21-20(14-9-2-1-3-10-14)19-17(22-21)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyDBZFCYJYVJFHBH-UHFFFAOYSA-N
MW342.79 g/mol
LogP6.22
Rot. Bonds2

About 2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole

2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole (PubChem CID 15761692) has the molecular formula C17H12ClN2PS and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole.

Molecular Properties

Compound Name2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole
PubChem CID15761692
Molecular FormulaC17H12ClN2PS
Molecular Weight342.79 g/mol
Exact Mass342.01
IUPAC Name2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole
SMILESClP1SC(c2cccc3ccccc23)=NN1c1ccccc1
InChIInChI=1S/C17H12ClN2PS/c18-21-20(14-9-2-1-3-10-14)19-17(22-21)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyDBZFCYJYVJFHBH-UHFFFAOYSA-N
XLogP6.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.79
LogP ≤ 56.22
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

1-Naphthaldehyde phenylhydrazone
CID 618797
1-Naphthaldehyde, phenylhydrazone
CID 9603886
2-Chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole
CID 15761693
Acetonaphtonphenylhydrazon
CID 129644110
8,10-Dimethyl-6-phenyl-6h-5,6,7-triazadibenzo[f,h]naphtho[3,2,1-cd]azulene
CID 129867044
2-Chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole
CID 134867920
5-Naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912648
(1Z)-N-phenylnaphthalene-1-carbohydrazonoyl chloride
CID 176426570
N-[(Z)-naphthalen-1-ylmethylideneamino]aniline
CID 5377127
3-naphthalen-1-yl-1H-1,2-benzodiazepine
CID 136477705
N-(1-naphthalen-1-ylethylideneamino)aniline
CID 140142012
N-phenylnaphthalene-2-carbohydrazonoyl chloride
CID 167437589

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole?
The IUPAC name of 2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole (CID 15761692) is 2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole.
What is the SMILES notation for 2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole?
The canonical SMILES for 2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole is ClP1SC(c2cccc3ccccc23)=NN1c1ccccc1.
What is the InChIKey of 2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole?
The InChIKey is DBZFCYJYVJFHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN2PS/c18-21-20(14-9-2-1-3-10-14)19-17(22-21)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H.
What are the key properties of 2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole?
2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole has a molecular weight of 342.79 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-naphthalen-1-yl-3-phenyl-1,3,4,2-thiadiazaphosphole is sourced from PubChem (CID 15761692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).