4-bromo-1,2-benzothiazol-5-ol

C7H4BrNOS — CID 83644168

IUPAC4-bromo-1,2-benzothiazol-5-ol
SMILESOc1ccc2sncc2c1Br
InChIInChI=1S/C7H4BrNOS/c8-7-4-3-9-11-6(4)2-1-5(7)10/h1-3,10H
InChIKeyBYQAJYOQEPAQRO-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.76
Rot. Bonds

About 4-bromo-1,2-benzothiazol-5-ol

4-bromo-1,2-benzothiazol-5-ol (PubChem CID 83644168) has the molecular formula C7H4BrNOS and a molecular weight of 230.09 g/mol. Its IUPAC name is 4-bromo-1,2-benzothiazol-5-ol.

Molecular Properties

Compound Name4-bromo-1,2-benzothiazol-5-ol
PubChem CID83644168
Molecular FormulaC7H4BrNOS
Molecular Weight230.09 g/mol
Exact Mass228.92
IUPAC Name4-bromo-1,2-benzothiazol-5-ol
SMILESOc1ccc2sncc2c1Br
InChIInChI=1S/C7H4BrNOS/c8-7-4-3-9-11-6(4)2-1-5(7)10/h1-3,10H
InChIKeyBYQAJYOQEPAQRO-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 4-bromo-1,2-benzothiazol-5-ol?
The IUPAC name of 4-bromo-1,2-benzothiazol-5-ol (CID 83644168) is 4-bromo-1,2-benzothiazol-5-ol.
What is the SMILES notation for 4-bromo-1,2-benzothiazol-5-ol?
The canonical SMILES for 4-bromo-1,2-benzothiazol-5-ol is Oc1ccc2sncc2c1Br.
What is the InChIKey of 4-bromo-1,2-benzothiazol-5-ol?
The InChIKey is BYQAJYOQEPAQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNOS/c8-7-4-3-9-11-6(4)2-1-5(7)10/h1-3,10H.
What are the key properties of 4-bromo-1,2-benzothiazol-5-ol?
4-bromo-1,2-benzothiazol-5-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 4-bromo-1,2-benzothiazol-5-ol is sourced from PubChem (CID 83644168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).