硫代氨基甲酸
TL;DR: 硫代氨基甲酸 (CAS 21746-04-3) is a chemical compound with molecular formula CH3NOS and molecular weight 76.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代氨基甲酸
carbamothioic S-acid
Also Known As: Carbamothioic acid, thiocarbamic acid, carbamothioic S-acid, Thiocarbamate, Thiurea
| Molecular Formula | CH3NOS |
|---|---|
| Molecular Weight | 76.99 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 76.99354 |
| Heavy Atoms | 4 |
| Complexity | 35.0 |
Chemical Identifiers
| CAS Number | 21746-04-3 |
|---|---|
| SMILES | C(=O)(N)S |
| InChIKey | GNVMUORYQLCPJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代氨基甲酸 (CAS 21746-04-3), with molecular formula CH3NOS and molecular weight 76.99 g/mol. IUPAC: carbamothioic S-acid.
Chemical Property Profile of 硫代氨基甲酸
Property Insights of 硫代氨基甲酸
The XLogP value of -0.3 indicates that 硫代氨基甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.1 Ų, 硫代氨基甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代氨基甲酸 has 2 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 硫代氨基甲酸?
The CAS number of 硫代氨基甲酸 is 21746-04-3.
What is the molecular formula of 硫代氨基甲酸?
The molecular formula of 硫代氨基甲酸 is CH3NOS.
What is the molecular weight of 硫代氨基甲酸?
The molecular weight of 硫代氨基甲酸 is 76.99 g/mol.
Where can I buy 硫代氨基甲酸?
You can request a quote for 硫代氨基甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代氨基甲酸?
Yes, KEHONG BIO provides custom synthesis services for 硫代氨基甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.