2-methylpropanethiohydrazide

C4H10N2S — CID 14804494

IUPAC2-methylpropanethiohydrazide
SMILESCC(C)C(=S)NN
InChIInChI=1S/C4H10N2S/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7)
InChIKeyVVQOUHPOJFOHGS-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.43
Rot. Bonds1

About 2-methylpropanethiohydrazide

2-methylpropanethiohydrazide (PubChem CID 14804494) has the molecular formula C4H10N2S and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-methylpropanethiohydrazide.

Molecular Properties

Compound Name2-methylpropanethiohydrazide
PubChem CID14804494
Molecular FormulaC4H10N2S
Molecular Weight118.20 g/mol
Exact Mass118.06
IUPAC Name2-methylpropanethiohydrazide
SMILESCC(C)C(=S)NN
InChIInChI=1S/C4H10N2S/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7)
InChIKeyVVQOUHPOJFOHGS-UHFFFAOYSA-N
XLogP0.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanethiohydrazide?
The IUPAC name of 2-methylpropanethiohydrazide (CID 14804494) is 2-methylpropanethiohydrazide.
What is the SMILES notation for 2-methylpropanethiohydrazide?
The canonical SMILES for 2-methylpropanethiohydrazide is CC(C)C(=S)NN.
What is the InChIKey of 2-methylpropanethiohydrazide?
The InChIKey is VVQOUHPOJFOHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2S/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7).
What are the key properties of 2-methylpropanethiohydrazide?
2-methylpropanethiohydrazide has a molecular weight of 118.20 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanethiohydrazide is sourced from PubChem (CID 14804494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).