N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide
TL;DR: N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide (CAS 79491-01-3) is a chemical compound with molecular formula C11H14ClN3S2 and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(propan-2-ylcarbamothioyl)thiourea
Also Known As: 1-(4-chlorophenyl)-3-(propan-2-ylcarbamothioyl)thiourea, N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide, N-(4-Chlorophenyl)-N'-(propan-2-yl)-2-imidodithiodicarbonic diamide
| Molecular Formula | C11H14ClN3S2 |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 2.9093 |
| Topological Polar Surface Area | 36.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.03177 |
| Heavy Atoms | 17 |
| Complexity | 403.6825 |
Chemical Identifiers
| CAS Number | 79491-01-3 |
|---|---|
| SMILES | CC(C)NC(=S)NC(=S)NC1=CC=C(C=C1)Cl |
Product Overview
N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide (CAS 79491-01-3), with molecular formula C11H14ClN3S2 and molecular weight 287.03 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(propan-2-ylcarbamothioyl)thiourea.
Chemical Property Profile of N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide
Property Insights of N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide
The XLogP value of 2.9093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide. With a topological polar surface area (TPSA) of 36.09 Ų, N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide has 3 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-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide?
The CAS number of N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide is 79491-01-3.
What is the molecular formula of N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide?
The molecular formula of N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide is C11H14ClN3S2.
What is the molecular weight of N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide?
The molecular weight of N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide is 287.03 g/mol.
Where can I buy N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide?
You can request a quote for N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chlorophenyl)-N'-propan-2-yl-2-imidodithiodicarbonic diamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.