3-Thioxobutyramide hydrochloride
TL;DR: 3-Thioxobutyramide hydrochloride (CAS 2825-28-7) is a chemical compound with molecular formula C4H8ClNOS and molecular weight 153.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylidenebutanamide;hydrochloride
Also Known As: 3-Thioxobutyramide hydrochloride, 3-Thioxobutyramide HCl, EINECS 220-583-7, THIOACETYLACETAMIDE HYDROCHLORIDE, 3-sulfanylidenebutanamide hydrochloride
| Molecular Formula | C4H8ClNOS |
|---|---|
| Molecular Weight | 153.00 g/mol |
| LogP | 0.6734 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.00151 |
| Heavy Atoms | 8 |
| Complexity | 92.21143 |
Chemical Identifiers
| CAS Number | 2825-28-7 |
|---|---|
| SMILES | CC(=S)CC(=O)N.Cl |
Product Overview
3-Thioxobutyramide hydrochloride (CAS 2825-28-7), with molecular formula C4H8ClNOS and molecular weight 153.00 g/mol. IUPAC: 3-sulfanylidenebutanamide;hydrochloride.
Chemical Property Profile of 3-Thioxobutyramide hydrochloride
Property Insights of 3-Thioxobutyramide hydrochloride
The XLogP value of 0.6734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thioxobutyramide hydrochloride. With a topological polar surface area (TPSA) of 43.09 Ų, 3-Thioxobutyramide hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thioxobutyramide hydrochloride 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 3-Thioxobutyramide hydrochloride?
The CAS number of 3-Thioxobutyramide hydrochloride is 2825-28-7.
What is the molecular formula of 3-Thioxobutyramide hydrochloride?
The molecular formula of 3-Thioxobutyramide hydrochloride is C4H8ClNOS.
What is the molecular weight of 3-Thioxobutyramide hydrochloride?
The molecular weight of 3-Thioxobutyramide hydrochloride is 153.00 g/mol.
Where can I buy 3-Thioxobutyramide hydrochloride?
You can request a quote for 3-Thioxobutyramide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thioxobutyramide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Thioxobutyramide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.