4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene

C12H7BrCl2S — CID 91876660

IUPAC4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene
SMILESClc1ccc(Sc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C12H7BrCl2S/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7H
InChIKeyGKSSTORWKQNUFJ-UHFFFAOYSA-N
MW334.07 g/mol
LogP5.91
Rot. Bonds2

About 4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene

4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene (PubChem CID 91876660) has the molecular formula C12H7BrCl2S and a molecular weight of 334.07 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene
PubChem CID91876660
Molecular FormulaC12H7BrCl2S
Molecular Weight334.07 g/mol
Exact Mass331.88
IUPAC Name4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene
SMILESClc1ccc(Sc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C12H7BrCl2S/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7H
InChIKeyGKSSTORWKQNUFJ-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.07
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-bromophenyl)sulfanyl-3-chloroaniline
CID 43345337
5-bromo-2-(4-chlorophenyl)sulfanylbenzaldehyde
CID 87451563
3-chloro-4-(4-chlorophenyl)sulfanylbenzonitrile
CID 63538752
5-chloro-2-(4-chlorophenyl)sulfanylphenol
CID 21430256
methyl 4-(4-bromophenyl)sulfanyl-3-chlorobenzoate
CID 91877512
4-chloro-1-(4-chlorophenyl)sulfanyl-2-methylbenzene
CID 14223180
2,4-dichloro-1-(4-nitrophenyl)sulfanylbenzene
CID 91876619
5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
CID 163687484
N-[[4-(4-bromophenyl)sulfanyl-3-chlorophenyl]methyl]propan-1-amine
CID 81159092
3-bromo-4-(4-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 82799463
1-[3-chloro-4-(4-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 81160027
1-[(4-bromo-2-chlorophenyl)disulfanyl]-2,3,4,5,6-pentachlorobenzene
CID 87271159

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene?
The IUPAC name of 4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene (CID 91876660) is 4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene.
What is the SMILES notation for 4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene?
The canonical SMILES for 4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene is Clc1ccc(Sc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene?
The InChIKey is GKSSTORWKQNUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2S/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7H.
What are the key properties of 4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene?
4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene has a molecular weight of 334.07 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(4-chlorophenyl)sulfanylbenzene is sourced from PubChem (CID 91876660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).