1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene

C12H7BrCl2S — CID 163695952

IUPAC1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(Sc2cccc(Br)c2)c1
InChIInChI=1S/C12H7BrCl2S/c13-8-2-1-3-11(4-8)16-12-6-9(14)5-10(15)7-12/h1-7H
InChIKeyJWYXEIKPOYGHEV-UHFFFAOYSA-N
MW334.07 g/mol
LogP5.91
Rot. Bonds2

About 1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene

1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene (PubChem CID 163695952) has the molecular formula C12H7BrCl2S and a molecular weight of 334.07 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene
PubChem CID163695952
Molecular FormulaC12H7BrCl2S
Molecular Weight334.07 g/mol
Exact Mass331.88
IUPAC Name1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(Sc2cccc(Br)c2)c1
InChIInChI=1S/C12H7BrCl2S/c13-8-2-1-3-11(4-8)16-12-6-9(14)5-10(15)7-12/h1-7H
InChIKeyJWYXEIKPOYGHEV-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

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Related Compounds

3-bromo-5-(3-chlorophenyl)sulfanylbenzonitrile
CID 102818471
2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine
CID 79734548
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
1-bromo-3-methylsulfanylbenzene
CID 2735627
1-bromo-3-hydroxysulfanylbenzene
CID 142318531
5-bromo-2-(3-chlorophenyl)sulfanylpyrimidine
CID 63868684
(3-bromophenyl)sulfanyl hypochlorite
CID 145473224
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
CID 80936563
[5-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114062107
4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide
CID 55152641
[4-bromo-2-(3-chlorophenyl)sulfanylphenyl]methanamine
CID 63807558
4-bromo-2-(3-chlorophenyl)sulfanylbenzaldehyde
CID 55238384

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene (CID 163695952) is 1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene is Clc1cc(Cl)cc(Sc2cccc(Br)c2)c1.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene?
The InChIKey is JWYXEIKPOYGHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2S/c13-8-2-1-3-11(4-8)16-12-6-9(14)5-10(15)7-12/h1-7H.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene?
1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene 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 1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene is sourced from PubChem (CID 163695952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).