1-[carbamothioyl(propyl)amino]-1-propylthiourea

C8H18N4S2 — CID 57311277

IUPAC1-[carbamothioyl(propyl)amino]-1-propylthiourea
SMILESCCCN(C(N)=S)N(CCC)C(N)=S
InChIInChI=1S/C8H18N4S2/c1-3-5-11(7(9)13)12(6-4-2)8(10)14/h3-6H2,1-2H3,(H2,9,13)(H2,10,14)
InChIKeyYKNOAGFZZCKOAG-UHFFFAOYSA-N
MW234.39 g/mol
LogP0.81
Rot. Bonds4

About 1-[carbamothioyl(propyl)amino]-1-propylthiourea

1-[carbamothioyl(propyl)amino]-1-propylthiourea (PubChem CID 57311277) has the molecular formula C8H18N4S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-[carbamothioyl(propyl)amino]-1-propylthiourea.

Molecular Properties

Compound Name1-[carbamothioyl(propyl)amino]-1-propylthiourea
PubChem CID57311277
Molecular FormulaC8H18N4S2
Molecular Weight234.39 g/mol
Exact Mass234.10
IUPAC Name1-[carbamothioyl(propyl)amino]-1-propylthiourea
SMILESCCCN(C(N)=S)N(CCC)C(N)=S
InChIInChI=1S/C8H18N4S2/c1-3-5-11(7(9)13)12(6-4-2)8(10)14/h3-6H2,1-2H3,(H2,9,13)(H2,10,14)
InChIKeyYKNOAGFZZCKOAG-UHFFFAOYSA-N
XLogP0.81
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[carbamothioyl(propyl)amino]-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-[Carbamothioyl(ethyl)amino]-1-ethylthiourea
CID 21157249
1-[Carbamothioyl(ethyl)amino]-1-methylthiourea
CID 56977890
1-[3-(Diethylamino)propyl]-1-(dimethylamino)-3-(dimethylcarbamothioyl)thiourea
CID 57044620
1-Butyl-1-[butyl(carbamothioyl)amino]thiourea
CID 57056729
1-Amino-1-[3-(diethylamino)propyl]thiourea
CID 87317226
1,3-Dibutyl-1-[ethyl(ethylcarbamothioyl)amino]thiourea
CID 87871224
1-(Carbamothioylamino)-1-propylthiourea
CID 87990565
1-Amino-1-[3-(dimethylamino)propyl]thiourea
CID 88499732
1,3-Diethyl-1-[ethyl(ethylcarbamothioyl)amino]thiourea
CID 89998811
1-(Carbamothioylamino)-1-[3-(dimethylamino)propyl]thiourea
CID 90934409
1,3-Diethyl-1-[methyl(methylcarbamothioyl)amino]thiourea
CID 91162325
1-(Dimethylamino)-1-propylthiourea
CID 129715618

Frequently Asked Questions

What is the IUPAC name of 1-[carbamothioyl(propyl)amino]-1-propylthiourea?
The IUPAC name of 1-[carbamothioyl(propyl)amino]-1-propylthiourea (CID 57311277) is 1-[carbamothioyl(propyl)amino]-1-propylthiourea.
What is the SMILES notation for 1-[carbamothioyl(propyl)amino]-1-propylthiourea?
The canonical SMILES for 1-[carbamothioyl(propyl)amino]-1-propylthiourea is CCCN(C(N)=S)N(CCC)C(N)=S.
What is the InChIKey of 1-[carbamothioyl(propyl)amino]-1-propylthiourea?
The InChIKey is YKNOAGFZZCKOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4S2/c1-3-5-11(7(9)13)12(6-4-2)8(10)14/h3-6H2,1-2H3,(H2,9,13)(H2,10,14).
What are the key properties of 1-[carbamothioyl(propyl)amino]-1-propylthiourea?
1-[carbamothioyl(propyl)amino]-1-propylthiourea has a molecular weight of 234.39 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[carbamothioyl(propyl)amino]-1-propylthiourea is sourced from PubChem (CID 57311277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).