[chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane

C30H25ClNPS — CID 134935311

IUPAC[chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane
SMILESClS(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H25ClNPS/c31-34(29-22-12-4-13-23-29,30-24-14-5-15-25-30)32-33(26-16-6-1-7-17-26,27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-25H
InChIKeyNKLZTLJLONSXSX-UHFFFAOYSA-N
MW498.03 g/mol
LogP8.16
Rot. Bonds6

About [chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane

[chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane (PubChem CID 134935311) has the molecular formula C30H25ClNPS and a molecular weight of 498.03 g/mol. Its IUPAC name is [chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name[chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane
PubChem CID134935311
Molecular FormulaC30H25ClNPS
Molecular Weight498.03 g/mol
Exact Mass497.11
IUPAC Name[chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane
SMILESClS(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H25ClNPS/c31-34(29-22-12-4-13-23-29,30-24-14-5-15-25-30)32-33(26-16-6-1-7-17-26,27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-25H
InChIKeyNKLZTLJLONSXSX-UHFFFAOYSA-N
XLogP8.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.03
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[diphenyl(sulfamoylimino)-lambda5-phosphanyl]benzene
CID 15191029
[dichloro(phenyl)-λ4-sulfanyl]phosphonic acid
CID 57230559
chloro(triphenyl)-λ4-sulfane
CID 153467777
[1-chloro-1-[(triphenyl-λ5-phosphanylidene)amino]ethyl]imino-triphenyl-λ5-phosphane
CID 170059377
1,1,1,5,5,5-Hexaphenyl-3-[(triphenyl-lambda~5~-phosphanylidene)amino]-2,4-diaza-1lambda~5~,5lambda~5~-diphospha-3-silapenta-1,4-diene
CID 78061620
N-[4-[(triphenyl-λ5-phosphanylidene)amino]sulfonylphenyl]acetamide
CID 139078728
benzene;benzenesulfonyl chloride
CID 87647314
[amino(dichloro)-λ4-sulfanyl]benzene
CID 57478152
dichloro-methyl-phenyl-λ4-sulfane
CID 137473162
diphenyl-[(triphenyl-lambda5-phosphanylidene)amino]sulfanium
CID 5257507
benzenesulfonyl chloride;iron
CID 174954068
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]imino-triphenyl-λ5-phosphane
CID 134984617

Frequently Asked Questions

What is the IUPAC name of [chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane?
The IUPAC name of [chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane (CID 134935311) is [chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane.
What is the SMILES notation for [chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane?
The canonical SMILES for [chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane is ClS(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane?
The InChIKey is NKLZTLJLONSXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClNPS/c31-34(29-22-12-4-13-23-29,30-24-14-5-15-25-30)32-33(26-16-6-1-7-17-26,27-18-8-2-9-19-27)28-20-10-3-11-21-28/h1-25H.
What are the key properties of [chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane?
[chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane has a molecular weight of 498.03 g/mol, XLogP of 8.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(diphenyl)-λ4-sulfanyl]imino-triphenyl-λ5-phosphane is sourced from PubChem (CID 134935311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).