二甲基氨基硫代甲酸S-甲酯
TL;DR: 二甲基氨基硫代甲酸S-甲酯 (CAS 3013-02-3) is a chemical compound with molecular formula C4H9NOS and molecular weight 119.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲基氨基硫代甲酸S-甲酯
S-methyl N,N-dimethylcarbamothioate
Also Known As: S-Methyl dimethylthiocarbamate, S-Methyl dimethylcarbamothioate, S-methyl N,N-dimethylcarbamothioate, S-Methyl dimethylthiocarbamate #, Carbamothioic acid, dimethyl-, S-methyl ester
| Molecular Formula | C4H9NOS |
|---|---|
| Molecular Weight | 119.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 119.04048 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 3013-02-3 |
|---|---|
| SMILES | CN(C)C(=O)SC |
| InChIKey | GCOMUEMCOXVZNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二甲基氨基硫代甲酸S-甲酯 (CAS 3013-02-3), with molecular formula C4H9NOS and molecular weight 119.04 g/mol. IUPAC: S-methyl N,N-dimethylcarbamothioate.
Chemical Property Profile of 二甲基氨基硫代甲酸S-甲酯
Property Insights of 二甲基氨基硫代甲酸S-甲酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二甲基氨基硫代甲酸S-甲酯. With a topological polar surface area (TPSA) of 45.6 Ų, 二甲基氨基硫代甲酸S-甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二甲基氨基硫代甲酸S-甲酯 has 0 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 二甲基氨基硫代甲酸S-甲酯?
The CAS number of 二甲基氨基硫代甲酸S-甲酯 is 3013-02-3.
What is the molecular formula of 二甲基氨基硫代甲酸S-甲酯?
The molecular formula of 二甲基氨基硫代甲酸S-甲酯 is C4H9NOS.
What is the molecular weight of 二甲基氨基硫代甲酸S-甲酯?
The molecular weight of 二甲基氨基硫代甲酸S-甲酯 is 119.04 g/mol.
Where can I buy 二甲基氨基硫代甲酸S-甲酯?
You can request a quote for 二甲基氨基硫代甲酸S-甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲基氨基硫代甲酸S-甲酯?
Yes, KEHONG BIO provides custom synthesis services for 二甲基氨基硫代甲酸S-甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.