(2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
TL;DR: (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate (CAS 445385-88-6) is a chemical compound with molecular formula C12H13Cl2N3S and molecular weight 301.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
Also Known As: 2,4-dichlorobenzyl N'-cyano-N-isopropylimidothiocarbamate, AM-807/14961048, (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate, 2,4-dichlorobenzyl N'-cyano-N-isopropylcarbamimidothioate, 2,4-dichlorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate
| Molecular Formula | C12H13Cl2N3S |
|---|---|
| Molecular Weight | 301.02 g/mol |
| LogP | 4.06168 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.02072 |
| Heavy Atoms | 18 |
| Complexity | 480.70114 |
Chemical Identifiers
| CAS Number | 445385-88-6 |
|---|---|
| SMILES | CC(C)N=C(NC#N)SCC1=C(C=C(C=C1)Cl)Cl |
Product Overview
(2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate (CAS 445385-88-6), with molecular formula C12H13Cl2N3S and molecular weight 301.02 g/mol. IUPAC: (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate.
Chemical Property Profile of (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
Property Insights of (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
The XLogP value of 4.06168 indicates that (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.18 Ų, (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate 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 (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The CAS number of (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate is 445385-88-6.
What is the molecular formula of (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The molecular formula of (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate is C12H13Cl2N3S.
What is the molecular weight of (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
The molecular weight of (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate is 301.02 g/mol.
Where can I buy (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
You can request a quote for (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-dichlorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.