3-methylthiophene-2-carbohydrazide

C6H8N2OS — CID 2760084

IUPAC3-methylthiophene-2-carbohydrazide
SMILESCc1ccsc1C(=O)NN
InChIInChI=1S/C6H8N2OS/c1-4-2-3-10-5(4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
InChIKeyMVROGAXPQMISQI-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.66
Rot. Bonds1

About 3-methylthiophene-2-carbohydrazide

3-methylthiophene-2-carbohydrazide (PubChem CID 2760084) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 3-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-methylthiophene-2-carbohydrazide
PubChem CID2760084
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name3-methylthiophene-2-carbohydrazide
SMILESCc1ccsc1C(=O)NN
InChIInChI=1S/C6H8N2OS/c1-4-2-3-10-5(4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
InChIKeyMVROGAXPQMISQI-UHFFFAOYSA-N
XLogP0.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.66
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 3-methylthiophene-2-carbohydrazide?
The IUPAC name of 3-methylthiophene-2-carbohydrazide (CID 2760084) is 3-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 3-methylthiophene-2-carbohydrazide?
The canonical SMILES for 3-methylthiophene-2-carbohydrazide is Cc1ccsc1C(=O)NN.
What is the InChIKey of 3-methylthiophene-2-carbohydrazide?
The InChIKey is MVROGAXPQMISQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4-2-3-10-5(4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9).
What are the key properties of 3-methylthiophene-2-carbohydrazide?
3-methylthiophene-2-carbohydrazide has a molecular weight of 156.21 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 2760084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).