N-(2-cyanophenyl)thiourea
TL;DR: N-(2-cyanophenyl)thiourea (CAS 851950-53-3) is a chemical compound with molecular formula C8H7N3S and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyanophenyl)thiourea
Also Known As: N-(2-cyanophenyl)thiourea, (2-cyanophenyl)thiourea, cyanophenylthiourea, 2-cyanophenylthiourea, 2-thioureidobenzonitrile
| Molecular Formula | C8H7N3S |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.21378 |
| Topological Polar Surface Area | 61.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.03607 |
| Heavy Atoms | 12 |
| Complexity | 340.40137 |
Chemical Identifiers
| CAS Number | 851950-53-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=S)N |
Product Overview
N-(2-cyanophenyl)thiourea (CAS 851950-53-3), with molecular formula C8H7N3S and molecular weight 177.04 g/mol. IUPAC: (2-cyanophenyl)thiourea.
Chemical Property Profile of N-(2-cyanophenyl)thiourea
Property Insights of N-(2-cyanophenyl)thiourea
The XLogP value of 1.21378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanophenyl)thiourea. The TPSA of 61.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanophenyl)thiourea. Following Lipinski's Rule of Five, N-(2-cyanophenyl)thiourea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-cyanophenyl)thiourea?
The CAS number of N-(2-cyanophenyl)thiourea is 851950-53-3.
What is the molecular formula of N-(2-cyanophenyl)thiourea?
The molecular formula of N-(2-cyanophenyl)thiourea is C8H7N3S.
What is the molecular weight of N-(2-cyanophenyl)thiourea?
The molecular weight of N-(2-cyanophenyl)thiourea is 177.04 g/mol.
Where can I buy N-(2-cyanophenyl)thiourea?
You can request a quote for N-(2-cyanophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyanophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.