Carbamothioic acid, O-butyl ester
TL;DR: Carbamothioic acid, O-butyl ester (CAS 692-99-9) 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.
O-butyl carbamothioate
Also Known As: n-butyl thiocarbamate, O-Butyl thiocarbamate, O-1-butyl thiocarbamate, O-butyl carbamothioate, BUTOXYCARBOTHIOAMIDE
| Molecular Formula | C5H11NOS |
|---|---|
| Molecular Weight | 133.06 g/mol |
| LogP | 1.0467 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 133.05614 |
| Heavy Atoms | 8 |
| Complexity | 74.82892 |
Chemical Identifiers
| CAS Number | 692-99-9 |
|---|---|
| SMILES | CCCCOC(=S)N |
Product Overview
Carbamothioic acid, O-butyl ester (CAS 692-99-9), with molecular formula C5H11NOS and molecular weight 133.06 g/mol. IUPAC: O-butyl carbamothioate.
Chemical Property Profile of Carbamothioic acid, O-butyl ester
Property Insights of Carbamothioic acid, O-butyl ester
The XLogP value of 1.0467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, O-butyl ester. With a topological polar surface area (TPSA) of 35.25 Ų, Carbamothioic acid, O-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, O-butyl ester 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 Carbamothioic acid, O-butyl ester?
The CAS number of Carbamothioic acid, O-butyl ester is 692-99-9.
What is the molecular formula of Carbamothioic acid, O-butyl ester?
The molecular formula of Carbamothioic acid, O-butyl ester is C5H11NOS.
What is the molecular weight of Carbamothioic acid, O-butyl ester?
The molecular weight of Carbamothioic acid, O-butyl ester is 133.06 g/mol.
Where can I buy Carbamothioic acid, O-butyl ester?
You can request a quote for Carbamothioic acid, O-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, O-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, O-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.