1-methylcyclopropane-1-carbothiohydrazide

C5H10N2S — CID 89056529

IUPAC1-methylcyclopropane-1-carbothiohydrazide
SMILESCC1(C(=S)NN)CC1
InChIInChI=1S/C5H10N2S/c1-5(2-3-5)4(8)7-6/h2-3,6H2,1H3,(H,7,8)
InChIKeyRQEGDJZGPYCITF-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.58
Rot. Bonds1

About 1-methylcyclopropane-1-carbothiohydrazide

1-methylcyclopropane-1-carbothiohydrazide (PubChem CID 89056529) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-methylcyclopropane-1-carbothiohydrazide.

Molecular Properties

Compound Name1-methylcyclopropane-1-carbothiohydrazide
PubChem CID89056529
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-methylcyclopropane-1-carbothiohydrazide
SMILESCC1(C(=S)NN)CC1
InChIInChI=1S/C5H10N2S/c1-5(2-3-5)4(8)7-6/h2-3,6H2,1H3,(H,7,8)
InChIKeyRQEGDJZGPYCITF-UHFFFAOYSA-N
XLogP0.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.58
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'}

Analyze 1-methylcyclopropane-1-carbothiohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopropane-1-carbothiohydrazide?
The IUPAC name of 1-methylcyclopropane-1-carbothiohydrazide (CID 89056529) is 1-methylcyclopropane-1-carbothiohydrazide.
What is the SMILES notation for 1-methylcyclopropane-1-carbothiohydrazide?
The canonical SMILES for 1-methylcyclopropane-1-carbothiohydrazide is CC1(C(=S)NN)CC1.
What is the InChIKey of 1-methylcyclopropane-1-carbothiohydrazide?
The InChIKey is RQEGDJZGPYCITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-5(2-3-5)4(8)7-6/h2-3,6H2,1H3,(H,7,8).
What are the key properties of 1-methylcyclopropane-1-carbothiohydrazide?
1-methylcyclopropane-1-carbothiohydrazide has a molecular weight of 130.22 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopropane-1-carbothiohydrazide is sourced from PubChem (CID 89056529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).