1-Phenethyl-3-pyrimidin-2-ylthiourea

Base Information

• Chemical Name: 1-Phenethyl-3-pyrimidin-2-ylthiourea
• CAS No.: 5454-37-5
• Molecular Formula: C13H14N4S
• Molecular Weight: 258.3421
• ChEMBL ID: CHEMBL1905608
• DSSTox Substance ID: DTXSID10404237
• NSC Number: 23098
• Mol file: 5454-37-5.mol

Synonyms:MLS002638918;5454-37-5;SMR001548380;1-phenethyl-3-pyrimidin-2-ylthiourea;NSC23098;SCHEMBL6961902;CHEMBL1905608;BDBM97323;cid_4557737;DTXSID10404237;HMS3085A10;NSC-23098;1-phenethyl-3-(2-pyrimidyl)thiourea;1-(2-phenylethyl)-3-pyrimidin-2-ylthiourea;1-(2-phenylethyl)-3-(2-pyrimidinyl)thiourea;1-(2-phenylethyl)-3-pyrimidin-2-yl-thiourea

Chemical Property of 1-Phenethyl-3-pyrimidin-2-ylthiourea

Chemical Property:

• Vapor Pressure: 9.9E-08mmHg at 25°C
• Boiling Point: 433.9°Cat760mmHg
• Flash Point: 216.2°C
• Density: 1.273g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 258.09391764
• Heavy Atom Count: 18
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC(=S)NC2=NC=CC=N2