1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene

C14H10Cl4S3 — CID 139623671

IUPAC1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene
SMILESCSc1cc(Cl)c(Sc2c(Cl)cc(SC)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl4S3/c1-19-7-3-9(15)13(10(16)4-7)21-14-11(17)5-8(20-2)6-12(14)18/h3-6H,1-2H3
InChIKeyVWONUJCPEXHWIZ-UHFFFAOYSA-N
MW416.25 g/mol
LogP7.90
Rot. Bonds4

About 1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene

1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene (PubChem CID 139623671) has the molecular formula C14H10Cl4S3 and a molecular weight of 416.25 g/mol. Its IUPAC name is 1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene.

Molecular Properties

Compound Name1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene
PubChem CID139623671
Molecular FormulaC14H10Cl4S3
Molecular Weight416.25 g/mol
Exact Mass413.87
IUPAC Name1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene
SMILESCSc1cc(Cl)c(Sc2c(Cl)cc(SC)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl4S3/c1-19-7-3-9(15)13(10(16)4-7)21-14-11(17)5-8(20-2)6-12(14)18/h3-6H,1-2H3
InChIKeyVWONUJCPEXHWIZ-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.25
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene 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 1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene?
The IUPAC name of 1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene (CID 139623671) is 1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene.
What is the SMILES notation for 1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene?
The canonical SMILES for 1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene is CSc1cc(Cl)c(Sc2c(Cl)cc(SC)cc2Cl)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene?
The InChIKey is VWONUJCPEXHWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4S3/c1-19-7-3-9(15)13(10(16)4-7)21-14-11(17)5-8(20-2)6-12(14)18/h3-6H,1-2H3.
What are the key properties of 1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene?
1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene has a molecular weight of 416.25 g/mol, XLogP of 7.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(2,6-dichloro-4-methylsulfanylphenyl)sulfanyl-5-methylsulfanylbenzene is sourced from PubChem (CID 139623671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).