1-methyl-1,3-diphenylthiourea

C14H14N2S — CID 677665

IUPAC1-methyl-1,3-diphenylthiourea
SMILESCN(C(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2S/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h2-11H,1H3,(H,15,17)
InChIKeyWFICXIZBSZGSGV-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.52
Rot. Bonds2

About 1-methyl-1,3-diphenylthiourea

1-methyl-1,3-diphenylthiourea (PubChem CID 677665) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-methyl-1,3-diphenylthiourea.

Molecular Properties

Compound Name1-methyl-1,3-diphenylthiourea
PubChem CID677665
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name1-methyl-1,3-diphenylthiourea
SMILESCN(C(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N2S/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h2-11H,1H3,(H,15,17)
InChIKeyWFICXIZBSZGSGV-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-diphenylthiourea?
The IUPAC name of 1-methyl-1,3-diphenylthiourea (CID 677665) is 1-methyl-1,3-diphenylthiourea.
What is the SMILES notation for 1-methyl-1,3-diphenylthiourea?
The canonical SMILES for 1-methyl-1,3-diphenylthiourea is CN(C(=S)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-methyl-1,3-diphenylthiourea?
The InChIKey is WFICXIZBSZGSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h2-11H,1H3,(H,15,17).
What are the key properties of 1-methyl-1,3-diphenylthiourea?
1-methyl-1,3-diphenylthiourea has a molecular weight of 242.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-diphenylthiourea is sourced from PubChem (CID 677665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).