氯化S-苄基硫脲鎓
TL;DR: 氯化S-苄基硫脲鎓 (CAS 538-28-3) is a chemical compound with molecular formula C8H11ClN2S and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯化S-苄基硫脲鎓
benzyl carbamimidothioate;hydrochloride
Also Known As: S-Benzylisothiourea hydrochloride, 2-Benzyl-2-thiopseudourea hydrochloride, BTKH, benzyl carbamimidothioate hydrochloride, S-Benzylthiuronium chloride
| Molecular Formula | C8H11ClN2S |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 2.24 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.03314 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 538-28-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=N)N.Cl |
| InChIKey | WJAASTDRAAMYNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯化S-苄基硫脲鎓 (CAS 538-28-3), with molecular formula C8H11ClN2S and molecular weight 202.03 g/mol. IUPAC: benzyl carbamimidothioate;hydrochloride.
Chemical Property Profile of 氯化S-苄基硫脲鎓
Property Insights of 氯化S-苄基硫脲鎓
The XLogP value of 2.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯化S-苄基硫脲鎓. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯化S-苄基硫脲鎓. Following Lipinski's Rule of Five, 氯化S-苄基硫脲鎓 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 氯化S-苄基硫脲鎓?
The CAS number of 氯化S-苄基硫脲鎓 is 538-28-3.
What is the molecular formula of 氯化S-苄基硫脲鎓?
The molecular formula of 氯化S-苄基硫脲鎓 is C8H11ClN2S.
What is the molecular weight of 氯化S-苄基硫脲鎓?
The molecular weight of 氯化S-苄基硫脲鎓 is 202.03 g/mol.
Where can I buy 氯化S-苄基硫脲鎓?
You can request a quote for 氯化S-苄基硫脲鎓 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化S-苄基硫脲鎓?
Yes, KEHONG BIO provides custom synthesis services for 氯化S-苄基硫脲鎓 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.