4-bromo-5-methylthiophene-2-carbohydrazide

C6H7BrN2OS — CID 12969333

IUPAC4-bromo-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1Br
InChIInChI=1S/C6H7BrN2OS/c1-3-4(7)2-5(11-3)6(10)9-8/h2H,8H2,1H3,(H,9,10)
InChIKeyDRULJGOBYUSKFC-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.42
Rot. Bonds1

About 4-bromo-5-methylthiophene-2-carbohydrazide

4-bromo-5-methylthiophene-2-carbohydrazide (PubChem CID 12969333) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is 4-bromo-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-5-methylthiophene-2-carbohydrazide
PubChem CID12969333
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC Name4-bromo-5-methylthiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1Br
InChIInChI=1S/C6H7BrN2OS/c1-3-4(7)2-5(11-3)6(10)9-8/h2H,8H2,1H3,(H,9,10)
InChIKeyDRULJGOBYUSKFC-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 4-bromo-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-bromo-5-methylthiophene-2-carbohydrazide (CID 12969333) is 4-bromo-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-bromo-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-bromo-5-methylthiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1Br.
What is the InChIKey of 4-bromo-5-methylthiophene-2-carbohydrazide?
The InChIKey is DRULJGOBYUSKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c1-3-4(7)2-5(11-3)6(10)9-8/h2H,8H2,1H3,(H,9,10).
What are the key properties of 4-bromo-5-methylthiophene-2-carbohydrazide?
4-bromo-5-methylthiophene-2-carbohydrazide has a molecular weight of 235.11 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 12969333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).