1,3-bis(2-methylphenyl)thiourea

C15H16N2S — CID 688028

IUPAC1,3-bis(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)Nc1ccccc1C
InChIInChI=1S/C15H16N2S/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyKWPNNZKRAQDVPZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.11
Rot. Bonds2

About 1,3-bis(2-methylphenyl)thiourea

1,3-bis(2-methylphenyl)thiourea (PubChem CID 688028) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1,3-bis(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1,3-bis(2-methylphenyl)thiourea
PubChem CID688028
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name1,3-bis(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)Nc1ccccc1C
InChIInChI=1S/C15H16N2S/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyKWPNNZKRAQDVPZ-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'}

Analyze 1,3-bis(2-methylphenyl)thiourea 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 1,3-bis(2-methylphenyl)thiourea?
The IUPAC name of 1,3-bis(2-methylphenyl)thiourea (CID 688028) is 1,3-bis(2-methylphenyl)thiourea.
What is the SMILES notation for 1,3-bis(2-methylphenyl)thiourea?
The canonical SMILES for 1,3-bis(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)Nc1ccccc1C.
What is the InChIKey of 1,3-bis(2-methylphenyl)thiourea?
The InChIKey is KWPNNZKRAQDVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18).
What are the key properties of 1,3-bis(2-methylphenyl)thiourea?
1,3-bis(2-methylphenyl)thiourea 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-bis(2-methylphenyl)thiourea is sourced from PubChem (CID 688028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).