1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea

C23H24N2S2 — CID 23935734

IUPAC1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea
SMILESCCc1cccc(CC)c1NC(=S)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H24N2S2/c1-3-17-11-10-12-18(4-2)22(17)25-23(26)24-20-15-8-9-16-21(20)27-19-13-6-5-7-14-19/h5-16H,3-4H2,1-2H3,(H2,24,25,26)
InChIKeyDHJDTPXLQFKALL-UHFFFAOYSA-N
MW392.59 g/mol
LogP6.77
Rot. Bonds6

About 1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea

1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea (PubChem CID 23935734) has the molecular formula C23H24N2S2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea
PubChem CID23935734
Molecular FormulaC23H24N2S2
Molecular Weight392.59 g/mol
Exact Mass392.14
IUPAC Name1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea
SMILESCCc1cccc(CC)c1NC(=S)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H24N2S2/c1-3-17-11-10-12-18(4-2)22(17)25-23(26)24-20-15-8-9-16-21(20)27-19-13-6-5-7-14-19/h5-16H,3-4H2,1-2H3,(H2,24,25,26)
InChIKeyDHJDTPXLQFKALL-UHFFFAOYSA-N
XLogP6.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea 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

(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-phenylsulfanylanilino)prop-2-enamide
CID 108849253
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-pentan-3-yl-3-(2-phenylsulfanylphenyl)urea
CID 108888275
1-(2,6-diethylphenyl)-3-quinolin-8-ylthiourea
CID 23732072
2-amino-N-(2-phenylsulfanylphenyl)pentanamide
CID 61253814
diethyl 3-methyl-5-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-2,4-dicarboxylate
CID 19677708
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
1-(5-chloro-2-methoxyphenyl)-3-(2-phenylsulfanylphenyl)thiourea
CID 19677668
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] N,N-diethylcarbamodithioate
CID 7841574
ethyl 5-methyl-4-phenyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate
CID 19677704
(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea (CID 23935734) is 1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea is CCc1cccc(CC)c1NC(=S)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea?
The InChIKey is DHJDTPXLQFKALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2S2/c1-3-17-11-10-12-18(4-2)22(17)25-23(26)24-20-15-8-9-16-21(20)27-19-13-6-5-7-14-19/h5-16H,3-4H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea?
1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea has a molecular weight of 392.59 g/mol, XLogP of 6.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-(2-phenylsulfanylphenyl)thiourea is sourced from PubChem (CID 23935734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).