1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea
TL;DR: 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea (CAS 3477-97-2) is a chemical compound with molecular formula C7H13ClN2OS2 and molecular weight 240.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(1,3-dithian-5-yl)urea
Also Known As: 2H-chromene-3-carbonitrile, KST-1B3413, 1-(2-chloroethyl)-3-(1,3-dithian-5-yl)urea, Urea,N-(2-chloroethyl)-N'-1,3-dithian-5-yl-, N'-(2-Chloroethyl)-N-(1,3-dithian-5-yl)carbamimidic acid
| Molecular Formula | C7H13ClN2OS2 |
|---|---|
| Molecular Weight | 240.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.01578 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 3477-97-2 |
|---|---|
| SMILES | C1C(CSCS1)NC(=O)NCCCl |
| InChIKey | YCHRYVDTAFHSIU-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea (CAS 3477-97-2), with molecular formula C7H13ClN2OS2 and molecular weight 240.02 g/mol. IUPAC: 1-(2-chloroethyl)-3-(1,3-dithian-5-yl)urea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea
Property Insights of 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea 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 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea?
The CAS number of 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea is 3477-97-2.
What is the molecular formula of 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea?
The molecular formula of 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea is C7H13ClN2OS2.
What is the molecular weight of 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea?
The molecular weight of 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea is 240.02 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea?
You can request a quote for 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(1,3-dithian-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.