7-bromo-1,3-benzothiazole

C7H4BrNS — CID 11521350

IUPAC7-bromo-1,3-benzothiazole
SMILESBrc1cccc2ncsc12
InChIInChI=1S/C7H4BrNS/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H
InChIKeyHIHGDDIOQDNKSV-UHFFFAOYSA-N
MW214.09 g/mol
LogP3.06
Rot. Bonds

About 7-bromo-1,3-benzothiazole

7-bromo-1,3-benzothiazole (PubChem CID 11521350) has the molecular formula C7H4BrNS and a molecular weight of 214.09 g/mol. Its IUPAC name is 7-bromo-1,3-benzothiazole.

Molecular Properties

Compound Name7-bromo-1,3-benzothiazole
PubChem CID11521350
Molecular FormulaC7H4BrNS
Molecular Weight214.09 g/mol
Exact Mass212.92
IUPAC Name7-bromo-1,3-benzothiazole
SMILESBrc1cccc2ncsc12
InChIInChI=1S/C7H4BrNS/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H
InChIKeyHIHGDDIOQDNKSV-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-1,3-benzothiazole?
The IUPAC name of 7-bromo-1,3-benzothiazole (CID 11521350) is 7-bromo-1,3-benzothiazole.
What is the SMILES notation for 7-bromo-1,3-benzothiazole?
The canonical SMILES for 7-bromo-1,3-benzothiazole is Brc1cccc2ncsc12.
What is the InChIKey of 7-bromo-1,3-benzothiazole?
The InChIKey is HIHGDDIOQDNKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNS/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H.
What are the key properties of 7-bromo-1,3-benzothiazole?
7-bromo-1,3-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-1,3-benzothiazole is sourced from PubChem (CID 11521350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).