N-cyano-N'-phenylthiourea
TL;DR: N-cyano-N'-phenylthiourea (CAS 41835-08-9) 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.
1-cyano-3-phenylthiourea
Also Known As: 1-cyano-3-phenylthiourea, N-cyano-N'-phenylthiourea, 3-cyano-1-phenyl-thiourea, N-cyano-N'-phenyl thiourea, 1-(3-Cyanophenyl)-2-thiourea
| Molecular Formula | C8H7N3S |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.45408 |
| Topological Polar Surface Area | 47.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.03607 |
| Heavy Atoms | 12 |
| Complexity | 301.82904 |
Chemical Identifiers
| CAS Number | 41835-08-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NC#N |
Product Overview
N-cyano-N'-phenylthiourea (CAS 41835-08-9), with molecular formula C8H7N3S and molecular weight 177.04 g/mol. IUPAC: 1-cyano-3-phenylthiourea.
Chemical Property Profile of N-cyano-N'-phenylthiourea
Property Insights of N-cyano-N'-phenylthiourea
The XLogP value of 1.45408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-cyano-N'-phenylthiourea. With a topological polar surface area (TPSA) of 47.85 Ų, N-cyano-N'-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-cyano-N'-phenylthiourea 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-cyano-N'-phenylthiourea?
The CAS number of N-cyano-N'-phenylthiourea is 41835-08-9.
What is the molecular formula of N-cyano-N'-phenylthiourea?
The molecular formula of N-cyano-N'-phenylthiourea is C8H7N3S.
What is the molecular weight of N-cyano-N'-phenylthiourea?
The molecular weight of N-cyano-N'-phenylthiourea is 177.04 g/mol.
Where can I buy N-cyano-N'-phenylthiourea?
You can request a quote for N-cyano-N'-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyano-N'-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-cyano-N'-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.