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

C17H12ClN2PS — CID 134867920

IUPAC2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole
SMILESClP1SC(c2ccc3ccccc3c2)=NN1c1ccccc1
InChIInChI=1S/C17H12ClN2PS/c18-21-20(16-8-2-1-3-9-16)19-17(22-21)15-11-10-13-6-4-5-7-14(13)12-15/h1-12H
InChIKeySZOYTAWHCMGDKF-UHFFFAOYSA-N
MW342.79 g/mol
LogP6.22
Rot. Bonds2

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

2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole (PubChem CID 134867920) has the molecular formula C17H12ClN2PS and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole.

Molecular Properties

Compound Name2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole
PubChem CID134867920
Molecular FormulaC17H12ClN2PS
Molecular Weight342.79 g/mol
Exact Mass342.01
IUPAC Name2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole
SMILESClP1SC(c2ccc3ccccc3c2)=NN1c1ccccc1
InChIInChI=1S/C17H12ClN2PS/c18-21-20(16-8-2-1-3-9-16)19-17(22-21)15-11-10-13-6-4-5-7-14(13)12-15/h1-12H
InChIKeySZOYTAWHCMGDKF-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

2-Naphthaldehyde phenylhydrazone
CID 9650850
2'-Acetonaphthone phenylhydrazone
CID 5903420
N-(1-naphthalen-2-ylethylideneamino)aniline
CID 251726
1-(1-(Naphthalen-2-yl)ethylidene)-2-phenylhydrazine
CID 5707786
8,10-Dimethyl-6-phenyl-6h-5,6,7-triazadibenzo[f,h]naphtho[3,2,1-cd]azulene
CID 129867044
5-Naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912648
(1Z)-N-phenylnaphthalene-1-carbohydrazonoyl chloride
CID 176426570
4-fluoro-N-(1-naphthalen-2-ylethylideneamino)aniline
CID 4642052
4-fluoro-N-[(Z)-1-naphthalen-2-ylethylideneamino]aniline
CID 6173306
(2E)-1-(4-Fluorophenyl)-2-[1-(naphthalen-2-YL)ethylidene]hydrazine
CID 9680669
N-(naphthalen-2-ylmethylideneamino)aniline
CID 4168118
N-[(E)-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline
CID 23014676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole?
The IUPAC name of 2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole (CID 134867920) is 2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole.
What is the SMILES notation for 2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole?
The canonical SMILES for 2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole is ClP1SC(c2ccc3ccccc3c2)=NN1c1ccccc1.
What is the InChIKey of 2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole?
The InChIKey is SZOYTAWHCMGDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN2PS/c18-21-20(16-8-2-1-3-9-16)19-17(22-21)15-11-10-13-6-4-5-7-14(13)12-15/h1-12H.
What are the key properties of 2-chloro-5-naphthalen-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole?
2-chloro-5-naphthalen-2-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-2-yl-3-phenyl-1,3,4,2-thiadiazaphosphole is sourced from PubChem (CID 134867920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).