4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene

C13H10BrClOS — CID 91877375

IUPAC4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene
SMILESCOc1ccc(Sc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C13H10BrClOS/c1-16-13-7-6-11(8-12(13)15)17-10-4-2-9(14)3-5-10/h2-8H,1H3
InChIKeyQCZGAYQWQRQHIF-UHFFFAOYSA-N
MW329.65 g/mol
LogP5.26
Rot. Bonds3

About 4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene

4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene (PubChem CID 91877375) has the molecular formula C13H10BrClOS and a molecular weight of 329.65 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene
PubChem CID91877375
Molecular FormulaC13H10BrClOS
Molecular Weight329.65 g/mol
Exact Mass327.93
IUPAC Name4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene
SMILESCOc1ccc(Sc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C13H10BrClOS/c1-16-13-7-6-11(8-12(13)15)17-10-4-2-9(14)3-5-10/h2-8H,1H3
InChIKeyQCZGAYQWQRQHIF-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.65
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene
CID 91877376
(3-chloro-4-methoxyphenyl)sulfanylmethanethiol
CID 117033706
2-(4-bromophenyl)sulfanyl-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43222143
4-(4-bromophenyl)sulfanyl-2-methoxybenzoic acid
CID 91877289
methyl 5-(4-bromophenyl)sulfanyl-2-chlorobenzoate
CID 91876694
(3-chloro-4-methoxyphenyl)sulfanylhydrazine
CID 117036018
1,3-dibromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 107980802
3-(3-chloro-4-methoxyphenyl)sulfanylpropan-1-ol
CID 117033419
6-(4-bromophenyl)sulfanyl-2,3-dimethoxynaphthalene-1,4-dione
CID 23038267
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853482
4-(3-chloro-4-methoxyphenyl)sulfanylbutan-2-amine
CID 117032711
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852264

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene?
The IUPAC name of 4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene (CID 91877375) is 4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene.
What is the SMILES notation for 4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene?
The canonical SMILES for 4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene is COc1ccc(Sc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene?
The InChIKey is QCZGAYQWQRQHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClOS/c1-16-13-7-6-11(8-12(13)15)17-10-4-2-9(14)3-5-10/h2-8H,1H3.
What are the key properties of 4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene?
4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene has a molecular weight of 329.65 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene is sourced from PubChem (CID 91877375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).