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

C13H10Br2OS — CID 91877376

IUPAC2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene
SMILESCOc1ccc(Sc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C13H10Br2OS/c1-16-13-7-6-11(8-12(13)15)17-10-4-2-9(14)3-5-10/h2-8H,1H3
InChIKeyUJFNECVSAGINFE-UHFFFAOYSA-N
MW374.10 g/mol
LogP5.37
Rot. Bonds3

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

2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene (PubChem CID 91877376) has the molecular formula C13H10Br2OS and a molecular weight of 374.10 g/mol. Its IUPAC name is 2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene
PubChem CID91877376
Molecular FormulaC13H10Br2OS
Molecular Weight374.10 g/mol
Exact Mass371.88
IUPAC Name2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene
SMILESCOc1ccc(Sc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C13H10Br2OS/c1-16-13-7-6-11(8-12(13)15)17-10-4-2-9(14)3-5-10/h2-8H,1H3
InChIKeyUJFNECVSAGINFE-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.10
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene
CID 91877375
4-(4-bromophenyl)sulfanyl-2-methoxybenzoic acid
CID 91877289
2-bromo-4-(4-bromophenyl)sulfanyl-1-ethylbenzene
CID 91877676
2-bromo-4-cyclohexylsulfanyl-1-methoxybenzene
CID 170743979
6-(4-bromophenyl)sulfanyl-2,3-dimethoxynaphthalene-1,4-dione
CID 23038267
1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-one
CID 66057058
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
1,2-bis[(4-bromophenyl)sulfanyl]-4,5-dimethylbenzene
CID 58715679
2-iodo-1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene
CID 91876566
ethyl 2-bromo-4-(4-bromophenyl)sulfanylbenzoate
CID 91877556
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]aniline
CID 43229311

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene?
The IUPAC name of 2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene (CID 91877376) is 2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene is COc1ccc(Sc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene?
The InChIKey is UJFNECVSAGINFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2OS/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 2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene?
2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene has a molecular weight of 374.10 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-bromophenyl)sulfanyl-1-methoxybenzene is sourced from PubChem (CID 91877376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).