4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene

C13H10Cl2S — CID 14223180

IUPAC4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
SMILESCc1cc(Cl)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2S/c1-9-8-11(15)4-7-13(9)16-12-5-2-10(14)3-6-12/h2-8H,1H3
InChIKeyGIXZFXDOTFGPAO-UHFFFAOYSA-N
MW269.20 g/mol
LogP5.45
Rot. Bonds2

About 4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene

4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene (PubChem CID 14223180) has the molecular formula C13H10Cl2S and a molecular weight of 269.20 g/mol. Its IUPAC name is 4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene.

Molecular Properties

Compound Name4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
PubChem CID14223180
Molecular FormulaC13H10Cl2S
Molecular Weight269.20 g/mol
Exact Mass267.99
IUPAC Name4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
SMILESCc1cc(Cl)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2S/c1-9-8-11(15)4-7-13(9)16-12-5-2-10(14)3-6-12/h2-8H,1H3
InChIKeyGIXZFXDOTFGPAO-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.20
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)sulfanyl-2,4,5-trimethylbenzene
CID 22947184
5-chloro-2-(4-chlorophenyl)sulfanylphenol
CID 21430256
2-[4-(4-chlorophenyl)sulfanyl-3-methylphenyl]acetic acid
CID 91876934
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
3-chloro-4-(4-chloro-2-methylphenyl)sulfanylaniline
CID 10221452
N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide
CID 70625796
5-chloro-2-(4-methylphenyl)sulfanylbenzaldehyde
CID 18668911
2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
2-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]acetic acid
CID 12957639
4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene
CID 91876660
5-chloro-2-(3,4-dimethylphenyl)sulfanylbenzonitrile
CID 55223970
1-[3-amino-4-(4-chlorophenyl)sulfanylphenyl]ethanone
CID 82177453

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene?
The IUPAC name of 4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene (CID 14223180) is 4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene.
What is the SMILES notation for 4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene?
The canonical SMILES for 4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene is Cc1cc(Cl)ccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene?
The InChIKey is GIXZFXDOTFGPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2S/c1-9-8-11(15)4-7-13(9)16-12-5-2-10(14)3-6-12/h2-8H,1H3.
What are the key properties of 4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene?
4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene has a molecular weight of 269.20 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene is sourced from PubChem (CID 14223180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).