1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene

C12H7BrClFS — CID 68684905

IUPAC1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene
SMILESFc1ccc(Br)c(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H7BrClFS/c13-11-6-3-9(15)7-12(11)16-10-4-1-8(14)2-5-10/h1-7H
InChIKeyOCWZUAZGGSGXMT-UHFFFAOYSA-N
MW317.61 g/mol
LogP5.39
Rot. Bonds2

About 1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene

1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene (PubChem CID 68684905) has the molecular formula C12H7BrClFS and a molecular weight of 317.61 g/mol. Its IUPAC name is 1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene
PubChem CID68684905
Molecular FormulaC12H7BrClFS
Molecular Weight317.61 g/mol
Exact Mass315.91
IUPAC Name1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene
SMILESFc1ccc(Br)c(Sc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H7BrClFS/c13-11-6-3-9(15)7-12(11)16-10-4-1-8(14)2-5-10/h1-7H
InChIKeyOCWZUAZGGSGXMT-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.61
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(((2-Bromophenyl)sulfanyl)methyl)-1-chloro-3-fluorobenzene
CID 588753
4-Chlorophenyl 4-fluorophenyl sulfide
CID 10657603
1-Chloro-4-(3-fluorophenyl)sulfanylbenzene
CID 102295239
(4-Bromophenyl)(4-chlorophenyl)sulfane
CID 264692
1-Chloro-4-(2-fluorophenyl)sulfanylbenzene
CID 53893938
1-Bromo-3-fluoro-4-[(4-chlorophenyl)sulfanylmethyl]benzene
CID 55027253
1-Bromo-5-fluoro-2-(phenylsulfanyl)-benzene
CID 59753122
1-Bromo-2-(2-chloro-phenylsulfanyl)-5-fluoro-benzene
CID 68681414
1-Bromo-2-(4-chloro-phenylsulfanyl)-5-fluoro-benzene
CID 68682807
1-Bromo-2-(4-chloro-2-fluoro-phenylsulfanyl)-5-fluoro-benzene
CID 68682984
1-Bromo-2-(4-chloro-2-fluoro-phenylsulfanyl)-benzene
CID 68683215
1-Bromo-2-(4-chlorophenylsulfanyl)-5-(trifluoromethyl)benzene
CID 68683413

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene?
The IUPAC name of 1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene (CID 68684905) is 1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene is Fc1ccc(Br)c(Sc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene?
The InChIKey is OCWZUAZGGSGXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFS/c13-11-6-3-9(15)7-12(11)16-10-4-1-8(14)2-5-10/h1-7H.
What are the key properties of 1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene?
1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene has a molecular weight of 317.61 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-chlorophenyl)sulfanyl-4-fluorobenzene is sourced from PubChem (CID 68684905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).