(4-Methoxyphenyl)carbamothioyl cyanide
TL;DR: (4-Methoxyphenyl)carbamothioyl cyanide (CAS 4968-41-6) is a chemical compound with molecular formula C9H8N2OS and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-N-(4-methoxyphenyl)methanethioamide
Also Known As: (4-methoxyphenyl)carbamothioyl cyanide, 2,4-Disubstituted Pyrimidine 2e, 1-cyano-N-(4-methoxyphenyl)methanethioamide, N-(4-Methoxyphenyl)cyanoformthioamide, NCI60_003402
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.95808 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 339.6275 |
Chemical Identifiers
| CAS Number | 4968-41-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)C#N |
Product Overview
(4-Methoxyphenyl)carbamothioyl cyanide (CAS 4968-41-6), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: 1-cyano-N-(4-methoxyphenyl)methanethioamide.
Chemical Property Profile of (4-Methoxyphenyl)carbamothioyl cyanide
Property Insights of (4-Methoxyphenyl)carbamothioyl cyanide
The XLogP value of 1.95808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxyphenyl)carbamothioyl cyanide. With a topological polar surface area (TPSA) of 45.05 Ų, (4-Methoxyphenyl)carbamothioyl cyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methoxyphenyl)carbamothioyl cyanide has 1 hydrogen bond donor(s) and 3 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 (4-Methoxyphenyl)carbamothioyl cyanide?
The CAS number of (4-Methoxyphenyl)carbamothioyl cyanide is 4968-41-6.
What is the molecular formula of (4-Methoxyphenyl)carbamothioyl cyanide?
The molecular formula of (4-Methoxyphenyl)carbamothioyl cyanide is C9H8N2OS.
What is the molecular weight of (4-Methoxyphenyl)carbamothioyl cyanide?
The molecular weight of (4-Methoxyphenyl)carbamothioyl cyanide is 192.04 g/mol.
Where can I buy (4-Methoxyphenyl)carbamothioyl cyanide?
You can request a quote for (4-Methoxyphenyl)carbamothioyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methoxyphenyl)carbamothioyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for (4-Methoxyphenyl)carbamothioyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.