1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene

C19H14BrClS — CID 170045363

IUPAC1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene
SMILESCSc1cccc(Br)c1-c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14BrClS/c1-22-18-4-2-3-17(20)19(18)15-7-5-13(6-8-15)14-9-11-16(21)12-10-14/h2-12H,1H3
InChIKeyOBWFSTZSRWDYGU-UHFFFAOYSA-N
MW389.75 g/mol
LogP7.16
Rot. Bonds3

About 1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene

1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene (PubChem CID 170045363) has the molecular formula C19H14BrClS and a molecular weight of 389.75 g/mol. Its IUPAC name is 1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene
PubChem CID170045363
Molecular FormulaC19H14BrClS
Molecular Weight389.75 g/mol
Exact Mass387.97
IUPAC Name1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene
SMILESCSc1cccc(Br)c1-c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14BrClS/c1-22-18-4-2-3-17(20)19(18)15-7-5-13(6-8-15)14-9-11-16(21)12-10-14/h2-12H,1H3
InChIKeyOBWFSTZSRWDYGU-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.75
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-(4-chloro-2-methylsulfanylphenyl)-3-fluorobenzene
CID 163240684
1-bromo-2-iodo-3-methylsulfanylbenzene
CID 91881110
2-(4-chlorophenyl)-3-methylsulfanylpyridine
CID 19850805
2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride
CID 19850804
1-bromo-2-methoxy-3-methylsulfanylbenzene
CID 91880733
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
3-(2-bromophenyl)sulfanyl-5-(4-chlorophenyl)-2-methyl-1,2-thiazol-2-ium
CID 10908899
1-(2-bromo-6-methylsulfanylphenyl)-2,2-dichloroethanol
CID 164892735
(2-bromo-6-methylsulfanylphenyl)hydrazine
CID 131212984
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
2-(2-bromophenyl)-6-(4-chlorophenyl)-4-methylsulfanylpyridine
CID 14551217

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene?
The IUPAC name of 1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene (CID 170045363) is 1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene.
What is the SMILES notation for 1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene?
The canonical SMILES for 1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene is CSc1cccc(Br)c1-c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene?
The InChIKey is OBWFSTZSRWDYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClS/c1-22-18-4-2-3-17(20)19(18)15-7-5-13(6-8-15)14-9-11-16(21)12-10-14/h2-12H,1H3.
What are the key properties of 1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene?
1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene has a molecular weight of 389.75 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[4-(4-chlorophenyl)phenyl]-3-methylsulfanylbenzene is sourced from PubChem (CID 170045363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).