1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene

C14H12Cl2S3 — CID 11667388

IUPAC1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene
SMILESClc1ccccc1CSSSCc1ccccc1Cl
InChIInChI=1S/C14H12Cl2S3/c15-13-7-3-1-5-11(13)9-17-19-18-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
InChIKeyJZCCNQFTKJLENE-UHFFFAOYSA-N
MW347.36 g/mol
LogP6.72
Rot. Bonds6

About 1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene

1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene (PubChem CID 11667388) has the molecular formula C14H12Cl2S3 and a molecular weight of 347.36 g/mol. Its IUPAC name is 1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene
PubChem CID11667388
Molecular FormulaC14H12Cl2S3
Molecular Weight347.36 g/mol
Exact Mass345.95
IUPAC Name1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene
SMILESClc1ccccc1CSSSCc1ccccc1Cl
InChIInChI=1S/C14H12Cl2S3/c15-13-7-3-1-5-11(13)9-17-19-18-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
InChIKeyJZCCNQFTKJLENE-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.36
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene?
The IUPAC name of 1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene (CID 11667388) is 1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene.
What is the SMILES notation for 1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene?
The canonical SMILES for 1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene is Clc1ccccc1CSSSCc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene?
The InChIKey is JZCCNQFTKJLENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2S3/c15-13-7-3-1-5-11(13)9-17-19-18-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2.
What are the key properties of 1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene?
1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene has a molecular weight of 347.36 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[(2-chlorophenyl)methyltrisulfanyl]methyl]benzene is sourced from PubChem (CID 11667388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).