3-(4-bromophenyl)-1,2-benzothiazol-6-ol

C13H8BrNOS — CID 135847952

IUPAC3-(4-bromophenyl)-1,2-benzothiazol-6-ol
SMILESOc1ccc2c(-c3ccc(Br)cc3)nsc2c1
InChIInChI=1S/C13H8BrNOS/c14-9-3-1-8(2-4-9)13-11-6-5-10(16)7-12(11)17-15-13/h1-7,16H
InChIKeyFZWISZZCKLHDGO-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.43
Rot. Bonds1

About 3-(4-bromophenyl)-1,2-benzothiazol-6-ol

3-(4-bromophenyl)-1,2-benzothiazol-6-ol (PubChem CID 135847952) has the molecular formula C13H8BrNOS and a molecular weight of 306.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1,2-benzothiazol-6-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-1,2-benzothiazol-6-ol
PubChem CID135847952
Molecular FormulaC13H8BrNOS
Molecular Weight306.18 g/mol
Exact Mass304.95
IUPAC Name3-(4-bromophenyl)-1,2-benzothiazol-6-ol
SMILESOc1ccc2c(-c3ccc(Br)cc3)nsc2c1
InChIInChI=1S/C13H8BrNOS/c14-9-3-1-8(2-4-9)13-11-6-5-10(16)7-12(11)17-15-13/h1-7,16H
InChIKeyFZWISZZCKLHDGO-UHFFFAOYSA-N
XLogP4.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Trifluoro-methanesulfonic acid 3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yl ester
CID 57428076
3-(4-Fluoro-phenyl)-benzo[d]isothiazol-6-ol
CID 135847953
3-(4-Trifluoromethyl-phenyl)-benzo[d]isothiazol-6-ol
CID 135847955
7-Bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol
CID 173447118
3-Phenyl-1,2-benzothiazol-5-ol
CID 85563925
4-Bromo-3-phenyl-1,2-benzothiazol-5-ol
CID 85837751
3-(1,1-Difluoroethyl)-1,2-benzothiazol-6-ol
CID 136314428
3-(Fluoromethyl)-1,2-benzothiazol-6-ol
CID 136316433
3-(1-Fluoroethyl)-1,2-benzothiazol-6-ol
CID 136316820
3-(Difluoromethyl)-1,2-benzothiazol-6-ol
CID 136316834
3-(2-Fluoropropan-2-yl)-1,2-benzothiazol-6-ol
CID 136326865
6-(6-Bromohexoxy)-3-(4-bromophenyl)-1,2-benzothiazole
CID 11134474

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1,2-benzothiazol-6-ol?
The IUPAC name of 3-(4-bromophenyl)-1,2-benzothiazol-6-ol (CID 135847952) is 3-(4-bromophenyl)-1,2-benzothiazol-6-ol.
What is the SMILES notation for 3-(4-bromophenyl)-1,2-benzothiazol-6-ol?
The canonical SMILES for 3-(4-bromophenyl)-1,2-benzothiazol-6-ol is Oc1ccc2c(-c3ccc(Br)cc3)nsc2c1.
What is the InChIKey of 3-(4-bromophenyl)-1,2-benzothiazol-6-ol?
The InChIKey is FZWISZZCKLHDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNOS/c14-9-3-1-8(2-4-9)13-11-6-5-10(16)7-12(11)17-15-13/h1-7,16H.
What are the key properties of 3-(4-bromophenyl)-1,2-benzothiazol-6-ol?
3-(4-bromophenyl)-1,2-benzothiazol-6-ol has a molecular weight of 306.18 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1,2-benzothiazol-6-ol is sourced from PubChem (CID 135847952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).