1-(3-Cyanophenyl)-2-thiourea
TL;DR: 1-(3-Cyanophenyl)-2-thiourea (CAS 850164-09-9) 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.
(3-cyanophenyl)thiourea
Also Known As: 1-(3-Cyanophenyl)-2-thiourea, (3-cyanophenyl)thiourea, 1-(3-cyanophenyl)thiourea, 3-cyanophenylthiourea, Phenylthiocarbamincyanid
| 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 | 850164-09-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)N)C#N |
Product Overview
1-(3-Cyanophenyl)-2-thiourea (CAS 850164-09-9), with molecular formula C8H7N3S and molecular weight 177.04 g/mol. IUPAC: (3-cyanophenyl)thiourea.
Chemical Property Profile of 1-(3-Cyanophenyl)-2-thiourea
Property Insights of 1-(3-Cyanophenyl)-2-thiourea
The XLogP value of 1.21378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Cyanophenyl)-2-thiourea. The TPSA of 61.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Cyanophenyl)-2-thiourea. Following Lipinski's Rule of Five, 1-(3-Cyanophenyl)-2-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 1-(3-Cyanophenyl)-2-thiourea?
The CAS number of 1-(3-Cyanophenyl)-2-thiourea is 850164-09-9.
What is the molecular formula of 1-(3-Cyanophenyl)-2-thiourea?
The molecular formula of 1-(3-Cyanophenyl)-2-thiourea is C8H7N3S.
What is the molecular weight of 1-(3-Cyanophenyl)-2-thiourea?
The molecular weight of 1-(3-Cyanophenyl)-2-thiourea is 177.04 g/mol.
Where can I buy 1-(3-Cyanophenyl)-2-thiourea?
You can request a quote for 1-(3-Cyanophenyl)-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Cyanophenyl)-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Cyanophenyl)-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.