2,2-dimethylpropanethiohydrazide

C5H12N2S — CID 2775228

IUPAC2,2-dimethylpropanethiohydrazide
SMILESCC(C)(C)C(=S)NN
InChIInChI=1S/C5H12N2S/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
InChIKeyGJDKDYJNYVBZRZ-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.82
Rot. Bonds

About 2,2-dimethylpropanethiohydrazide

2,2-dimethylpropanethiohydrazide (PubChem CID 2775228) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is 2,2-dimethylpropanethiohydrazide.

Molecular Properties

Compound Name2,2-dimethylpropanethiohydrazide
PubChem CID2775228
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Name2,2-dimethylpropanethiohydrazide
SMILESCC(C)(C)C(=S)NN
InChIInChI=1S/C5H12N2S/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
InChIKeyGJDKDYJNYVBZRZ-UHFFFAOYSA-N
XLogP0.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.82
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 2,2-dimethylpropanethiohydrazide?
The IUPAC name of 2,2-dimethylpropanethiohydrazide (CID 2775228) is 2,2-dimethylpropanethiohydrazide.
What is the SMILES notation for 2,2-dimethylpropanethiohydrazide?
The canonical SMILES for 2,2-dimethylpropanethiohydrazide is CC(C)(C)C(=S)NN.
What is the InChIKey of 2,2-dimethylpropanethiohydrazide?
The InChIKey is GJDKDYJNYVBZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8).
What are the key properties of 2,2-dimethylpropanethiohydrazide?
2,2-dimethylpropanethiohydrazide has a molecular weight of 132.23 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanethiohydrazide is sourced from PubChem (CID 2775228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).