1-cyano-N-(3,4-dichlorophenyl)methanethioamide
TL;DR: 1-cyano-N-(3,4-dichlorophenyl)methanethioamide (CAS 4955-79-7) is a chemical compound with molecular formula C8H4Cl2N2S and molecular weight 229.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-N-(3,4-dichlorophenyl)methanethioamide
Also Known As: 1-cyano-N-(3,4-dichlorophenyl)methanethioamide, (3,4-dichlorophenyl)carbamothioyl cyanide, NCI60_003577, N-(3,4-dichlorophenyl)cyanothioformanilide, 1,2-dichloro-4-[(cyanocarbonothioyl)amino]benzene
| Molecular Formula | C8H4Cl2N2S |
|---|---|
| Molecular Weight | 229.95 g/mol |
| LogP | 3.25628 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.94722 |
| Heavy Atoms | 13 |
| Complexity | 384.22067 |
Chemical Identifiers
| CAS Number | 4955-79-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=S)C#N)Cl)Cl |
Product Overview
1-cyano-N-(3,4-dichlorophenyl)methanethioamide (CAS 4955-79-7), with molecular formula C8H4Cl2N2S and molecular weight 229.95 g/mol. IUPAC: 1-cyano-N-(3,4-dichlorophenyl)methanethioamide.
Chemical Property Profile of 1-cyano-N-(3,4-dichlorophenyl)methanethioamide
Property Insights of 1-cyano-N-(3,4-dichlorophenyl)methanethioamide
The XLogP value of 3.25628 indicates that 1-cyano-N-(3,4-dichlorophenyl)methanethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 1-cyano-N-(3,4-dichlorophenyl)methanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-cyano-N-(3,4-dichlorophenyl)methanethioamide has 1 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-cyano-N-(3,4-dichlorophenyl)methanethioamide?
The CAS number of 1-cyano-N-(3,4-dichlorophenyl)methanethioamide is 4955-79-7.
What is the molecular formula of 1-cyano-N-(3,4-dichlorophenyl)methanethioamide?
The molecular formula of 1-cyano-N-(3,4-dichlorophenyl)methanethioamide is C8H4Cl2N2S.
What is the molecular weight of 1-cyano-N-(3,4-dichlorophenyl)methanethioamide?
The molecular weight of 1-cyano-N-(3,4-dichlorophenyl)methanethioamide is 229.95 g/mol.
Where can I buy 1-cyano-N-(3,4-dichlorophenyl)methanethioamide?
You can request a quote for 1-cyano-N-(3,4-dichlorophenyl)methanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-cyano-N-(3,4-dichlorophenyl)methanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-cyano-N-(3,4-dichlorophenyl)methanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.