1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene

C12H7Br2ClS — CID 177169783

IUPAC1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene
SMILESClc1ccc(Br)c(Sc2ccccc2Br)c1
InChIInChI=1S/C12H7Br2ClS/c13-9-3-1-2-4-11(9)16-12-7-8(15)5-6-10(12)14/h1-7H
InChIKeyVPVDGBQTZLQHIC-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.02
Rot. Bonds2

About 1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene

1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene (PubChem CID 177169783) has the molecular formula C12H7Br2ClS and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene.

Molecular Properties

Compound Name1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene
PubChem CID177169783
Molecular FormulaC12H7Br2ClS
Molecular Weight378.52 g/mol
Exact Mass375.83
IUPAC Name1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene
SMILESClc1ccc(Br)c(Sc2ccccc2Br)c1
InChIInChI=1S/C12H7Br2ClS/c13-9-3-1-2-4-11(9)16-12-7-8(15)5-6-10(12)14/h1-7H
InChIKeyVPVDGBQTZLQHIC-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)sulfanyl-4-chloroaniline
CID 115469523
N-[[2-(2-bromophenyl)sulfanyl-4-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114864301
N-[[2-(2-bromophenyl)sulfanyl-5-chlorophenyl]methyl]ethanamine
CID 114864304
2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide
CID 62494952
4-(2-bromophenyl)sulfanyl-3,5-dichloroaniline
CID 106891313
4-(2-bromophenyl)sulfanyl-2-chloro-5-methylaniline
CID 113334525
2-[(2-bromophenyl)sulfanylmethyl]-5-chloroaniline
CID 62102418
(1R)-1-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]ethanamine
CID 63532454
N-[[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]methyl]propan-2-amine
CID 81160503
[2-(2-bromophenyl)sulfanyl-6-chlorophenyl]methanol
CID 63813275
4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine
CID 80888001
1,4-bis[(2-bromophenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 53349981

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene?
The IUPAC name of 1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene (CID 177169783) is 1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene.
What is the SMILES notation for 1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene?
The canonical SMILES for 1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene is Clc1ccc(Br)c(Sc2ccccc2Br)c1.
What is the InChIKey of 1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene?
The InChIKey is VPVDGBQTZLQHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClS/c13-9-3-1-2-4-11(9)16-12-7-8(15)5-6-10(12)14/h1-7H.
What are the key properties of 1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene?
1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene has a molecular weight of 378.52 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene is sourced from PubChem (CID 177169783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).