S-(3-Amino-3-oxopropyl) carbamothioate
TL;DR: S-(3-Amino-3-oxopropyl) carbamothioate (CAS 77052-76-7) is a chemical compound with molecular formula C4H8N2O2S and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3-amino-3-oxopropyl) carbamothioate
Also Known As: 3-carbamoylsulfanylpropanamide, S-(3-amino-3-oxopropyl) carbamothioate, RefChem:379435
| Molecular Formula | C4H8N2O2S |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.03065 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 77052-76-7 |
|---|---|
| SMILES | C(CSC(=O)N)C(=O)N |
| InChIKey | XRRRRODRADWZRA-UHFFFAOYSA-N |
Product Overview
S-(3-Amino-3-oxopropyl) carbamothioate (CAS 77052-76-7), with molecular formula C4H8N2O2S and molecular weight 148.03 g/mol. IUPAC: S-(3-amino-3-oxopropyl) carbamothioate.
Chemical Property Profile of S-(3-Amino-3-oxopropyl) carbamothioate
Property Insights of S-(3-Amino-3-oxopropyl) carbamothioate
The XLogP value of -1.1 indicates that S-(3-Amino-3-oxopropyl) carbamothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(3-Amino-3-oxopropyl) carbamothioate. Following Lipinski's Rule of Five, S-(3-Amino-3-oxopropyl) carbamothioate 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-(3-Amino-3-oxopropyl) carbamothioate?
The CAS number of S-(3-Amino-3-oxopropyl) carbamothioate is 77052-76-7.
What is the molecular formula of S-(3-Amino-3-oxopropyl) carbamothioate?
The molecular formula of S-(3-Amino-3-oxopropyl) carbamothioate is C4H8N2O2S.
What is the molecular weight of S-(3-Amino-3-oxopropyl) carbamothioate?
The molecular weight of S-(3-Amino-3-oxopropyl) carbamothioate is 148.03 g/mol.
Where can I buy S-(3-Amino-3-oxopropyl) carbamothioate?
You can request a quote for S-(3-Amino-3-oxopropyl) carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(3-Amino-3-oxopropyl) carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(3-Amino-3-oxopropyl) carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.