N-benzyl-1-phenylsulfanylmethanimidoyl chloride

C14H12ClNS — CID 15650988

IUPACN-benzyl-1-phenylsulfanylmethanimidoyl chloride
SMILESCl/C(=N\Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H12ClNS/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2/b16-14+
InChIKeyKXINWCZNRFJMKP-JQIJEIRASA-N
MW261.78 g/mol
LogP4.57
Rot. Bonds3

About N-benzyl-1-phenylsulfanylmethanimidoyl chloride

N-benzyl-1-phenylsulfanylmethanimidoyl chloride (PubChem CID 15650988) has the molecular formula C14H12ClNS and a molecular weight of 261.78 g/mol. Its IUPAC name is N-benzyl-1-phenylsulfanylmethanimidoyl chloride.

Molecular Properties

Compound NameN-benzyl-1-phenylsulfanylmethanimidoyl chloride
PubChem CID15650988
Molecular FormulaC14H12ClNS
Molecular Weight261.78 g/mol
Exact Mass261.04
IUPAC NameN-benzyl-1-phenylsulfanylmethanimidoyl chloride
SMILESCl/C(=N\Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H12ClNS/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2/b16-14+
InChIKeyKXINWCZNRFJMKP-JQIJEIRASA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-benzyl-1-phenylsulfanylmethanimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylsulfanylmethanimidoyl chloride?
The IUPAC name of N-benzyl-1-phenylsulfanylmethanimidoyl chloride (CID 15650988) is N-benzyl-1-phenylsulfanylmethanimidoyl chloride.
What is the SMILES notation for N-benzyl-1-phenylsulfanylmethanimidoyl chloride?
The canonical SMILES for N-benzyl-1-phenylsulfanylmethanimidoyl chloride is Cl/C(=N\Cc1ccccc1)Sc1ccccc1.
What is the InChIKey of N-benzyl-1-phenylsulfanylmethanimidoyl chloride?
The InChIKey is KXINWCZNRFJMKP-JQIJEIRASA-N. The full InChI is InChI=1S/C14H12ClNS/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2/b16-14+.
What are the key properties of N-benzyl-1-phenylsulfanylmethanimidoyl chloride?
N-benzyl-1-phenylsulfanylmethanimidoyl chloride has a molecular weight of 261.78 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylsulfanylmethanimidoyl chloride is sourced from PubChem (CID 15650988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).