1-(4-methylsulfanylphenyl)-3-propylthiourea

C11H16N2S2 — CID 115573736

IUPAC1-(4-methylsulfanylphenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc(SC)cc1
InChIInChI=1S/C11H16N2S2/c1-3-8-12-11(14)13-9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3,(H2,12,13,14)
InChIKeyGYTBHDWIIJNMIU-UHFFFAOYSA-N
MW240.40 g/mol
LogP3.10
Rot. Bonds4

About 1-(4-methylsulfanylphenyl)-3-propylthiourea

1-(4-methylsulfanylphenyl)-3-propylthiourea (PubChem CID 115573736) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-3-propylthiourea.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-3-propylthiourea
PubChem CID115573736
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name1-(4-methylsulfanylphenyl)-3-propylthiourea
SMILESCCCNC(=S)Nc1ccc(SC)cc1
InChIInChI=1S/C11H16N2S2/c1-3-8-12-11(14)13-9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3,(H2,12,13,14)
InChIKeyGYTBHDWIIJNMIU-UHFFFAOYSA-N
XLogP3.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-methylsulfanylphenyl)-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

Related Compounds

1-(4-bromophenyl)-3-propylthiourea
CID 2244101
1-propyl-3-(4-sulfanylphenyl)thiourea
CID 43836141
1-(2-methylprop-2-enyl)-3-(4-methylsulfanylphenyl)thiourea
CID 8564789
1-[4-(diethylamino)phenyl]-3-propylthiourea
CID 7942260
1-(4-methylphenyl)-3-(propylcarbamothioylamino)thiourea
CID 7988089
1-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8564807
1-(3-imidazol-1-ylpropyl)-3-(4-methylsulfanylphenyl)thiourea
CID 6539187
1-(4-methylsulfanylphenyl)-3-pentylurea
CID 21064485
1-(4-fluorophenyl)-3-pentylthiourea
CID 19650686
1-(furan-2-ylmethyl)-3-(4-methylsulfanylphenyl)thiourea
CID 8564804
1-(3-chloro-4-fluorophenyl)-3-propylthiourea
CID 8618876
1-[4-(3,4-dimethylphenyl)sulfanylphenyl]-3-ethylthiourea
CID 8660488

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-3-propylthiourea?
The IUPAC name of 1-(4-methylsulfanylphenyl)-3-propylthiourea (CID 115573736) is 1-(4-methylsulfanylphenyl)-3-propylthiourea.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-3-propylthiourea?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-3-propylthiourea is CCCNC(=S)Nc1ccc(SC)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-3-propylthiourea?
The InChIKey is GYTBHDWIIJNMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c1-3-8-12-11(14)13-9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(4-methylsulfanylphenyl)-3-propylthiourea?
1-(4-methylsulfanylphenyl)-3-propylthiourea has a molecular weight of 240.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-3-propylthiourea is sourced from PubChem (CID 115573736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).