1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene

C15H13ClS — CID 139659055

IUPAC1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene
SMILESC=Cc1cccc(CSc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClS/c1-2-12-5-3-6-13(9-12)11-17-15-8-4-7-14(16)10-15/h2-10H,1,11H2
InChIKeyVXSYKVKEMZGPAG-UHFFFAOYSA-N
MW260.79 g/mol
LogP5.28
Rot. Bonds4

About 1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene

1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene (PubChem CID 139659055) has the molecular formula C15H13ClS and a molecular weight of 260.79 g/mol. Its IUPAC name is 1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene
PubChem CID139659055
Molecular FormulaC15H13ClS
Molecular Weight260.79 g/mol
Exact Mass260.04
IUPAC Name1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene
SMILESC=Cc1cccc(CSc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClS/c1-2-12-5-3-6-13(9-12)11-17-15-8-4-7-14(16)10-15/h2-10H,1,11H2
InChIKeyVXSYKVKEMZGPAG-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.79
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene 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 1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene?
The IUPAC name of 1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene (CID 139659055) is 1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene?
The canonical SMILES for 1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene is C=Cc1cccc(CSc2cccc(Cl)c2)c1.
What is the InChIKey of 1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene?
The InChIKey is VXSYKVKEMZGPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClS/c1-2-12-5-3-6-13(9-12)11-17-15-8-4-7-14(16)10-15/h2-10H,1,11H2.
What are the key properties of 1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene?
1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene has a molecular weight of 260.79 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(3-ethenylphenyl)methylsulfanyl]benzene is sourced from PubChem (CID 139659055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).