6-bromo-1,3-benzothiazole;hydrazine

C7H8BrN3S — CID 174420817

IUPAC6-bromo-1,3-benzothiazole;hydrazine
SMILESBrc1ccc2ncsc2c1.NN
InChIInChI=1S/C7H4BrNS.H4N2/c8-5-1-2-6-7(3-5)10-4-9-6;1-2/h1-4H;1-2H2
InChIKeyWPVYMJLEMIJENT-UHFFFAOYSA-N
MW246.13 g/mol
LogP1.88
Rot. Bonds

About 6-bromo-1,3-benzothiazole;hydrazine

6-bromo-1,3-benzothiazole;hydrazine (PubChem CID 174420817) has the molecular formula C7H8BrN3S and a molecular weight of 246.13 g/mol. Its IUPAC name is 6-bromo-1,3-benzothiazole;hydrazine.

Molecular Properties

Compound Name6-bromo-1,3-benzothiazole;hydrazine
PubChem CID174420817
Molecular FormulaC7H8BrN3S
Molecular Weight246.13 g/mol
Exact Mass244.96
IUPAC Name6-bromo-1,3-benzothiazole;hydrazine
SMILESBrc1ccc2ncsc2c1.NN
InChIInChI=1S/C7H4BrNS.H4N2/c8-5-1-2-6-7(3-5)10-4-9-6;1-2/h1-4H;1-2H2
InChIKeyWPVYMJLEMIJENT-UHFFFAOYSA-N
XLogP1.88
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-benzothiazole;hydrazine?
The IUPAC name of 6-bromo-1,3-benzothiazole;hydrazine (CID 174420817) is 6-bromo-1,3-benzothiazole;hydrazine.
What is the SMILES notation for 6-bromo-1,3-benzothiazole;hydrazine?
The canonical SMILES for 6-bromo-1,3-benzothiazole;hydrazine is Brc1ccc2ncsc2c1.NN.
What is the InChIKey of 6-bromo-1,3-benzothiazole;hydrazine?
The InChIKey is WPVYMJLEMIJENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNS.H4N2/c8-5-1-2-6-7(3-5)10-4-9-6;1-2/h1-4H;1-2H2.
What are the key properties of 6-bromo-1,3-benzothiazole;hydrazine?
6-bromo-1,3-benzothiazole;hydrazine has a molecular weight of 246.13 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-benzothiazole;hydrazine is sourced from PubChem (CID 174420817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).