2-bromo-1,3-benzothiazol-7-ol

C7H4BrNOS — CID 91798978

IUPAC2-bromo-1,3-benzothiazol-7-ol
SMILESOc1cccc2nc(Br)sc12
InChIInChI=1S/C7H4BrNOS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3,10H
InChIKeyKRLIQZYTQKATIR-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.76
Rot. Bonds

About 2-bromo-1,3-benzothiazol-7-ol

2-bromo-1,3-benzothiazol-7-ol (PubChem CID 91798978) has the molecular formula C7H4BrNOS and a molecular weight of 230.09 g/mol. Its IUPAC name is 2-bromo-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-bromo-1,3-benzothiazol-7-ol
PubChem CID91798978
Molecular FormulaC7H4BrNOS
Molecular Weight230.09 g/mol
Exact Mass228.92
IUPAC Name2-bromo-1,3-benzothiazol-7-ol
SMILESOc1cccc2nc(Br)sc12
InChIInChI=1S/C7H4BrNOS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3,10H
InChIKeyKRLIQZYTQKATIR-UHFFFAOYSA-N
XLogP2.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-benzothiazol-7-ol?
The IUPAC name of 2-bromo-1,3-benzothiazol-7-ol (CID 91798978) is 2-bromo-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-bromo-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-bromo-1,3-benzothiazol-7-ol is Oc1cccc2nc(Br)sc12.
What is the InChIKey of 2-bromo-1,3-benzothiazol-7-ol?
The InChIKey is KRLIQZYTQKATIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNOS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3,10H.
What are the key properties of 2-bromo-1,3-benzothiazol-7-ol?
2-bromo-1,3-benzothiazol-7-ol has a molecular weight of 230.09 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-benzothiazol-7-ol is sourced from PubChem (CID 91798978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).