2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide

C15H10Br2O2S — CID 150441477

IUPAC2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide
SMILESCOc1ccc2c(c1)S(=O)C(Br)=C2c1ccc(Br)cc1
InChIInChI=1S/C15H10Br2O2S/c1-19-11-6-7-12-13(8-11)20(18)15(17)14(12)9-2-4-10(16)5-3-9/h2-8H,1H3
InChIKeyHLWAEMZNAFPNTD-UHFFFAOYSA-N
MW414.12 g/mol
LogP4.69
Rot. Bonds2

About 2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide

2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide (PubChem CID 150441477) has the molecular formula C15H10Br2O2S and a molecular weight of 414.12 g/mol. Its IUPAC name is 2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide.

Molecular Properties

Compound Name2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide
PubChem CID150441477
Molecular FormulaC15H10Br2O2S
Molecular Weight414.12 g/mol
Exact Mass411.88
IUPAC Name2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide
SMILESCOc1ccc2c(c1)S(=O)C(Br)=C2c1ccc(Br)cc1
InChIInChI=1S/C15H10Br2O2S/c1-19-11-6-7-12-13(8-11)20(18)15(17)14(12)9-2-4-10(16)5-3-9/h2-8H,1H3
InChIKeyHLWAEMZNAFPNTD-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-(4-fluorophenyl)-6-methoxy-1-benzothiophene 1-oxide
CID 123505543
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
6-methoxy-2-methyl-1-oxo-1-benzothiophen-3-amine
CID 5305965
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
CID 141409053
1-bromo-4-methoxybenzene;chromium;formaldehyde
CID 173400891
3-(4-bromophenyl)-6-methoxy-1-benzothiophene
CID 15422641
2,3-dibromo-6-methoxyinden-1-one
CID 170703221
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
5-bromo-13-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 59272320
1-(4-bromo-2-methoxyphenyl)-3,5-dimethoxybenzene
CID 163198275
4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene
CID 164894616

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide?
The IUPAC name of 2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide (CID 150441477) is 2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide.
What is the SMILES notation for 2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide?
The canonical SMILES for 2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide is COc1ccc2c(c1)S(=O)C(Br)=C2c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide?
The InChIKey is HLWAEMZNAFPNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2O2S/c1-19-11-6-7-12-13(8-11)20(18)15(17)14(12)9-2-4-10(16)5-3-9/h2-8H,1H3.
What are the key properties of 2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide?
2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide has a molecular weight of 414.12 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-bromophenyl)-6-methoxy-1-benzothiophene 1-oxide is sourced from PubChem (CID 150441477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).