S-butyl carbamothioate
TL;DR: S-butyl carbamothioate (CAS 76926-49-3) is a chemical compound with molecular formula C5H11NOS and molecular weight 133.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-butyl carbamothioate
Also Known As: S-butyl carbamothioate, S-butyl aminomethanethioate, thiocarbamic acid S-butyl ester
| Molecular Formula | C5H11NOS |
|---|---|
| Molecular Weight | 133.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 133.05614 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 76926-49-3 |
|---|---|
| SMILES | CCCCSC(=O)N |
| InChIKey | PBAZSPGJWCBODN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-butyl carbamothioate (CAS 76926-49-3), with molecular formula C5H11NOS and molecular weight 133.06 g/mol. IUPAC: S-butyl carbamothioate.
Chemical Property Profile of S-butyl carbamothioate
Property Insights of S-butyl carbamothioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-butyl carbamothioate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-butyl carbamothioate. Following Lipinski's Rule of Five, S-butyl carbamothioate has 1 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 S-butyl carbamothioate?
The CAS number of S-butyl carbamothioate is 76926-49-3.
What is the molecular formula of S-butyl carbamothioate?
The molecular formula of S-butyl carbamothioate is C5H11NOS.
What is the molecular weight of S-butyl carbamothioate?
The molecular weight of S-butyl carbamothioate is 133.06 g/mol.
Where can I buy S-butyl carbamothioate?
You can request a quote for S-butyl carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-butyl carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-butyl carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.