S-Benzylthioisothiourea
TL;DR: S-Benzylthioisothiourea (CAS 28356-14-1) is a chemical compound with molecular formula C8H10N2S2 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzylsulfanyl carbamimidothioate
Also Known As: S-Benzylthioisothiourea, S-(Benzylthio)isothiourea, [(carbamimidoyldisulfanyl)methyl]benzene, benzylsulfanyl carbamimidothioate, (benzyldisulfanyl)methanimidamide
| Molecular Formula | C8H10N2S2 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.02853 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 28356-14-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSSC(=N)N |
| InChIKey | DFXJMJHWFFKBFB-UHFFFAOYSA-N |
Product Overview
S-Benzylthioisothiourea (CAS 28356-14-1), with molecular formula C8H10N2S2 and molecular weight 198.03 g/mol. IUPAC: benzylsulfanyl carbamimidothioate.
Chemical Property Profile of S-Benzylthioisothiourea
Property Insights of S-Benzylthioisothiourea
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Benzylthioisothiourea. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Benzylthioisothiourea. Following Lipinski's Rule of Five, S-Benzylthioisothiourea 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 S-Benzylthioisothiourea?
The CAS number of S-Benzylthioisothiourea is 28356-14-1.
What is the molecular formula of S-Benzylthioisothiourea?
The molecular formula of S-Benzylthioisothiourea is C8H10N2S2.
What is the molecular weight of S-Benzylthioisothiourea?
The molecular weight of S-Benzylthioisothiourea is 198.03 g/mol.
Where can I buy S-Benzylthioisothiourea?
You can request a quote for S-Benzylthioisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzylthioisothiourea?
Yes, KEHONG BIO provides custom synthesis services for S-Benzylthioisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.