1-propan-2-yl-3-tritylthiourea

C23H24N2S — CID 2828021

IUPAC1-propan-2-yl-3-tritylthiourea
SMILESCC(C)NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2S/c1-18(2)24-22(26)25-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3,(H2,24,25,26)
InChIKeyXJEVPSNUVRRYIP-UHFFFAOYSA-N
MW360.53 g/mol
LogP4.85
Rot. Bonds5

About 1-propan-2-yl-3-tritylthiourea

1-propan-2-yl-3-tritylthiourea (PubChem CID 2828021) has the molecular formula C23H24N2S and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-propan-2-yl-3-tritylthiourea.

Molecular Properties

Compound Name1-propan-2-yl-3-tritylthiourea
PubChem CID2828021
Molecular FormulaC23H24N2S
Molecular Weight360.53 g/mol
Exact Mass360.17
IUPAC Name1-propan-2-yl-3-tritylthiourea
SMILESCC(C)NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2S/c1-18(2)24-22(26)25-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3,(H2,24,25,26)
InChIKeyXJEVPSNUVRRYIP-UHFFFAOYSA-N
XLogP4.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-propan-2-yl-3-tritylthiourea 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-propan-2-yl-3-tritylthiourea?
The IUPAC name of 1-propan-2-yl-3-tritylthiourea (CID 2828021) is 1-propan-2-yl-3-tritylthiourea.
What is the SMILES notation for 1-propan-2-yl-3-tritylthiourea?
The canonical SMILES for 1-propan-2-yl-3-tritylthiourea is CC(C)NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-propan-2-yl-3-tritylthiourea?
The InChIKey is XJEVPSNUVRRYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2S/c1-18(2)24-22(26)25-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3,(H2,24,25,26).
What are the key properties of 1-propan-2-yl-3-tritylthiourea?
1-propan-2-yl-3-tritylthiourea has a molecular weight of 360.53 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-tritylthiourea is sourced from PubChem (CID 2828021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).