1-(3,4-dimethylphenyl)-3-phenylthiourea

C15H16N2S — CID 837227

IUPAC1-(3,4-dimethylphenyl)-3-phenylthiourea
SMILESCc1ccc(NC(=S)Nc2ccccc2)cc1C
InChIInChI=1S/C15H16N2S/c1-11-8-9-14(10-12(11)2)17-15(18)16-13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyRKTUVGHHHQZGDT-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.11
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-3-phenylthiourea

1-(3,4-dimethylphenyl)-3-phenylthiourea (PubChem CID 837227) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-phenylthiourea
PubChem CID837227
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name1-(3,4-dimethylphenyl)-3-phenylthiourea
SMILESCc1ccc(NC(=S)Nc2ccccc2)cc1C
InChIInChI=1S/C15H16N2S/c1-11-8-9-14(10-12(11)2)17-15(18)16-13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyRKTUVGHHHQZGDT-UHFFFAOYSA-N
XLogP4.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methyl-5-(phenylcarbamothioylamino)phenyl]-3-phenylthiourea
CID 3654028
1-(3,4-dimethylphenyl)-3-(2-fluorophenyl)thiourea
CID 977185
1-[1-(3,4-dimethylphenyl)ethyl]-3-phenylthiourea
CID 19674967
1-(3,4-dimethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23960305
1-(4-amino-3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)thiourea
CID 27000952
1-(3,4-dimethylphenyl)-3-[(1R)-1-phenylbutyl]thiourea
CID 9231570
4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea
CID 53365050
1-(4-fluoro-3-methylphenyl)-3-(4-phenoxyphenyl)thiourea
CID 53488596
1,3-bis(4-fluoro-3-methylphenyl)thiourea
CID 53365062
1-(4-aminophenyl)-3-phenylthiourea
CID 4566503
1-benzyl-3-(3,4-dimethylphenyl)-1-[2-[(3,4-dimethylphenyl)carbamothioylamino]ethyl]thiourea
CID 2473173

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-phenylthiourea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-phenylthiourea (CID 837227) is 1-(3,4-dimethylphenyl)-3-phenylthiourea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-phenylthiourea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-phenylthiourea is Cc1ccc(NC(=S)Nc2ccccc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-phenylthiourea?
The InChIKey is RKTUVGHHHQZGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11-8-9-14(10-12(11)2)17-15(18)16-13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3,4-dimethylphenyl)-3-phenylthiourea?
1-(3,4-dimethylphenyl)-3-phenylthiourea has a molecular weight of 256.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-phenylthiourea is sourced from PubChem (CID 837227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).