7-bromo-1,2-benzothiazole

C7H4BrNS — CID 19387302

IUPAC7-bromo-1,2-benzothiazole
SMILESBrc1cccc2cnsc12
InChIInChI=1S/C7H4BrNS/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H
InChIKeyLARBSDOBTWXILM-UHFFFAOYSA-N
MW214.09 g/mol
LogP3.06
Rot. Bonds

About 7-bromo-1,2-benzothiazole

7-bromo-1,2-benzothiazole (PubChem CID 19387302) has the molecular formula C7H4BrNS and a molecular weight of 214.09 g/mol. Its IUPAC name is 7-bromo-1,2-benzothiazole.

Molecular Properties

Compound Name7-bromo-1,2-benzothiazole
PubChem CID19387302
Molecular FormulaC7H4BrNS
Molecular Weight214.09 g/mol
Exact Mass212.92
IUPAC Name7-bromo-1,2-benzothiazole
SMILESBrc1cccc2cnsc12
InChIInChI=1S/C7H4BrNS/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H
InChIKeyLARBSDOBTWXILM-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2-benzothiazole?
The IUPAC name of 7-bromo-1,2-benzothiazole (CID 19387302) is 7-bromo-1,2-benzothiazole.
What is the SMILES notation for 7-bromo-1,2-benzothiazole?
The canonical SMILES for 7-bromo-1,2-benzothiazole is Brc1cccc2cnsc12.
What is the InChIKey of 7-bromo-1,2-benzothiazole?
The InChIKey is LARBSDOBTWXILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNS/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H.
What are the key properties of 7-bromo-1,2-benzothiazole?
7-bromo-1,2-benzothiazole has a molecular weight of 214.09 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2-benzothiazole is sourced from PubChem (CID 19387302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).