1-diazenyl-1-propylthiourea

C4H10N4S — CID 163829942

IUPAC1-diazenyl-1-propylthiourea
SMILES[H]/N=N/N(CCC)C(N)=S
InChIInChI=1S/C4H10N4S/c1-2-3-8(7-6)4(5)9/h6H,2-3H2,1H3,(H2,5,9)/b7-6+
InChIKeyOCVAGZURGFQGNU-VOTSOKGWSA-N
MW146.22 g/mol
LogP0.89
Rot. Bonds3

About 1-diazenyl-1-propylthiourea

1-diazenyl-1-propylthiourea (PubChem CID 163829942) has the molecular formula C4H10N4S and a molecular weight of 146.22 g/mol. Its IUPAC name is 1-diazenyl-1-propylthiourea.

Molecular Properties

Compound Name1-diazenyl-1-propylthiourea
PubChem CID163829942
Molecular FormulaC4H10N4S
Molecular Weight146.22 g/mol
Exact Mass146.06
IUPAC Name1-diazenyl-1-propylthiourea
SMILES[H]/N=N/N(CCC)C(N)=S
InChIInChI=1S/C4H10N4S/c1-2-3-8(7-6)4(5)9/h6H,2-3H2,1H3,(H2,5,9)/b7-6+
InChIKeyOCVAGZURGFQGNU-VOTSOKGWSA-N
XLogP0.89
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-diazenyl-1-propylthiourea with MolForge

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

Launch Full Analysis

Related Compounds

1-Propyl-1H-tetrazole-5-thiol
CID 8831747
1-[Carbamothioyl(ethyl)amino]-1-ethylthiourea
CID 21157249
4-(dimethylamino)-4-ethyl-1H-tetrazol-4-ium-5-thione
CID 21841836
1-Amino-1-butylthiourea
CID 22301220
1-Amino-1-propylthiourea
CID 22301223
1-(2-Methylpropyl)hydrazine-1-carbothioamide
CID 55290675
1-[Carbamothioyl(ethyl)amino]-1-methylthiourea
CID 56977890
1-[Carbamothioyl(propyl)amino]-1-propylthiourea
CID 57311277
1-Azido-1-pentylthiourea
CID 87690632
1-(Carbamothioylamino)-1-propylthiourea
CID 87990565
1-Amino-1-[3-(dimethylamino)propyl]thiourea
CID 88499732
1-(Dimethylamino)-1-propylthiourea
CID 129715618

Frequently Asked Questions

What is the IUPAC name of 1-diazenyl-1-propylthiourea?
The IUPAC name of 1-diazenyl-1-propylthiourea (CID 163829942) is 1-diazenyl-1-propylthiourea.
What is the SMILES notation for 1-diazenyl-1-propylthiourea?
The canonical SMILES for 1-diazenyl-1-propylthiourea is [H]/N=N/N(CCC)C(N)=S.
What is the InChIKey of 1-diazenyl-1-propylthiourea?
The InChIKey is OCVAGZURGFQGNU-VOTSOKGWSA-N. The full InChI is InChI=1S/C4H10N4S/c1-2-3-8(7-6)4(5)9/h6H,2-3H2,1H3,(H2,5,9)/b7-6+.
What are the key properties of 1-diazenyl-1-propylthiourea?
1-diazenyl-1-propylthiourea has a molecular weight of 146.22 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenyl-1-propylthiourea is sourced from PubChem (CID 163829942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).