N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine

C21H16ClNS — CID 102477137

IUPACN-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine
SMILESCl/C(=C\N=C(c1ccccc1)c1ccccc1)Sc1ccccc1
InChIInChI=1S/C21H16ClNS/c22-20(24-19-14-8-3-9-15-19)16-23-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H/b20-16+
InChIKeyPPTMZAUBTFUUGU-CAPFRKAQSA-N
MW349.89 g/mol
LogP6.35
Rot. Bonds5

About N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine

N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine (PubChem CID 102477137) has the molecular formula C21H16ClNS and a molecular weight of 349.89 g/mol. Its IUPAC name is N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine
PubChem CID102477137
Molecular FormulaC21H16ClNS
Molecular Weight349.89 g/mol
Exact Mass349.07
IUPAC NameN-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine
SMILESCl/C(=C\N=C(c1ccccc1)c1ccccc1)Sc1ccccc1
InChIInChI=1S/C21H16ClNS/c22-20(24-19-14-8-3-9-15-19)16-23-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H/b20-16+
InChIKeyPPTMZAUBTFUUGU-CAPFRKAQSA-N
XLogP6.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.89
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine (CID 102477137) is N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine is Cl/C(=C\N=C(c1ccccc1)c1ccccc1)Sc1ccccc1.
What is the InChIKey of N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine?
The InChIKey is PPTMZAUBTFUUGU-CAPFRKAQSA-N. The full InChI is InChI=1S/C21H16ClNS/c22-20(24-19-14-8-3-9-15-19)16-23-21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H/b20-16+.
What are the key properties of N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine?
N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine has a molecular weight of 349.89 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-chloro-2-phenylsulfanylethenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 102477137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).