Carbamimidothioic acid, (3-chlorophenyl)methyl ester
TL;DR: Carbamimidothioic acid, (3-chlorophenyl)methyl ester (CAS 89802-75-5) is a chemical compound with molecular formula C8H9ClN2S and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl)methyl carbamimidothioate
Also Known As: Maybridge1_006993, S-(3-chlorobenzyl)isothiourea, 3-chlorobenzyl carbamimidothioate, Sulconazole Nitrate Impurity 10, (3-chlorophenyl)methyl carbamimidothioate
| Molecular Formula | C8H9ClN2S |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.0175 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 89802-75-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CSC(=N)N |
| InChIKey | MMDKGIZKDGPYFQ-UHFFFAOYSA-N |
Product Overview
Carbamimidothioic acid, (3-chlorophenyl)methyl ester (CAS 89802-75-5), with molecular formula C8H9ClN2S and molecular weight 200.02 g/mol. IUPAC: (3-chlorophenyl)methyl carbamimidothioate.
Chemical Property Profile of Carbamimidothioic acid, (3-chlorophenyl)methyl ester
Property Insights of Carbamimidothioic acid, (3-chlorophenyl)methyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, (3-chlorophenyl)methyl ester. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, (3-chlorophenyl)methyl ester. Following Lipinski's Rule of Five, Carbamimidothioic acid, (3-chlorophenyl)methyl ester has 2 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 Carbamimidothioic acid, (3-chlorophenyl)methyl ester?
The CAS number of Carbamimidothioic acid, (3-chlorophenyl)methyl ester is 89802-75-5.
What is the molecular formula of Carbamimidothioic acid, (3-chlorophenyl)methyl ester?
The molecular formula of Carbamimidothioic acid, (3-chlorophenyl)methyl ester is C8H9ClN2S.
What is the molecular weight of Carbamimidothioic acid, (3-chlorophenyl)methyl ester?
The molecular weight of Carbamimidothioic acid, (3-chlorophenyl)methyl ester is 200.02 g/mol.
Where can I buy Carbamimidothioic acid, (3-chlorophenyl)methyl ester?
You can request a quote for Carbamimidothioic acid, (3-chlorophenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, (3-chlorophenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, (3-chlorophenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.