N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid
TL;DR: N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid (CAS 61367-33-7) is a chemical compound with molecular formula C8H15ClN2OS2 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2-methyl-1,3-dithian-5-yl)urea
Also Known As: 1-(2-chloroethyl)-3-(2-methyl-1,3-dithian-5-yl)urea, N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid
| Molecular Formula | C8H15ClN2OS2 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03143 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 61367-33-7 |
|---|---|
| SMILES | CC1SCC(CS1)NC(=O)NCCCl |
| InChIKey | YCBVEHQDISOFSA-UHFFFAOYSA-N |
Product Overview
N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid (CAS 61367-33-7), with molecular formula C8H15ClN2OS2 and molecular weight 254.03 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2-methyl-1,3-dithian-5-yl)urea.
Chemical Property Profile of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid
Property Insights of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid. Following Lipinski's Rule of Five, N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid has 2 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 N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid?
The CAS number of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid is 61367-33-7.
What is the molecular formula of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid?
The molecular formula of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid is C8H15ClN2OS2.
What is the molecular weight of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid?
The molecular weight of N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid is 254.03 g/mol.
Where can I buy N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid?
You can request a quote for N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N'-(2-Chloroethyl)-N-(2-methyl-1,3-dithian-5-yl)carbamimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.