1-(2-methylprop-2-enyl)-3-propylthiourea

C8H16N2S — CID 15113017

IUPAC1-(2-methylprop-2-enyl)-3-propylthiourea
SMILESC=C(C)CNC(=S)NCCC
InChIInChI=1S/C8H16N2S/c1-4-5-9-8(11)10-6-7(2)3/h2,4-6H2,1,3H3,(H2,9,10,11)
InChIKeyKTCLEPSNCPJRIY-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.44
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-3-propylthiourea

1-(2-methylprop-2-enyl)-3-propylthiourea (PubChem CID 15113017) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-propylthiourea
PubChem CID15113017
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name1-(2-methylprop-2-enyl)-3-propylthiourea
SMILESC=C(C)CNC(=S)NCCC
InChIInChI=1S/C8H16N2S/c1-4-5-9-8(11)10-6-7(2)3/h2,4-6H2,1,3H3,(H2,9,10,11)
InChIKeyKTCLEPSNCPJRIY-UHFFFAOYSA-N
XLogP1.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-methylprop-2-enyl)-3-propylthiourea 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-(2-methylprop-2-enyl)-3-propylthiourea?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-propylthiourea (CID 15113017) is 1-(2-methylprop-2-enyl)-3-propylthiourea.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-propylthiourea?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-propylthiourea is C=C(C)CNC(=S)NCCC.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-propylthiourea?
The InChIKey is KTCLEPSNCPJRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-4-5-9-8(11)10-6-7(2)3/h2,4-6H2,1,3H3,(H2,9,10,11).
What are the key properties of 1-(2-methylprop-2-enyl)-3-propylthiourea?
1-(2-methylprop-2-enyl)-3-propylthiourea has a molecular weight of 172.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3-propylthiourea is sourced from PubChem (CID 15113017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).