二甲基二硫代氨基甲酸3-氧丁酯
TL;DR: 二甲基二硫代氨基甲酸3-氧丁酯 (CAS 30538-01-3) is a chemical compound with molecular formula C7H13NOS2 and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二甲基二硫代氨基甲酸3-氧丁酯
3-oxobutyl N,N-dimethylcarbamodithioate
Also Known As: 3-oxobutyl dimethylcarbamodithioate, Dimethylcarbamodithioic acid 3-oxobutyl ester, CARBAMODITHIOIC ACID, DIMETHYL-, 3-OXOBUTYL ESTER, 3-oxobutyl N,N-dimethylcarbamodithioate, Dimethyldithiocarbamicacid3-oxobutylester
| Molecular Formula | C7H13NOS2 |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.04385 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 30538-01-3 |
|---|---|
| SMILES | CC(=O)CCSC(=S)N(C)C |
| InChIKey | YYWGKYKESNNUMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二甲基二硫代氨基甲酸3-氧丁酯 (CAS 30538-01-3), with molecular formula C7H13NOS2 and molecular weight 191.04 g/mol. IUPAC: 3-oxobutyl N,N-dimethylcarbamodithioate.
Chemical Property Profile of 二甲基二硫代氨基甲酸3-氧丁酯
Property Insights of 二甲基二硫代氨基甲酸3-氧丁酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二甲基二硫代氨基甲酸3-氧丁酯. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 二甲基二硫代氨基甲酸3-氧丁酯. Following Lipinski's Rule of Five, 二甲基二硫代氨基甲酸3-氧丁酯 has 0 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 二甲基二硫代氨基甲酸3-氧丁酯?
The CAS number of 二甲基二硫代氨基甲酸3-氧丁酯 is 30538-01-3.
What is the molecular formula of 二甲基二硫代氨基甲酸3-氧丁酯?
The molecular formula of 二甲基二硫代氨基甲酸3-氧丁酯 is C7H13NOS2.
What is the molecular weight of 二甲基二硫代氨基甲酸3-氧丁酯?
The molecular weight of 二甲基二硫代氨基甲酸3-氧丁酯 is 191.04 g/mol.
Where can I buy 二甲基二硫代氨基甲酸3-氧丁酯?
You can request a quote for 二甲基二硫代氨基甲酸3-氧丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二甲基二硫代氨基甲酸3-氧丁酯?
Yes, KEHONG BIO provides custom synthesis services for 二甲基二硫代氨基甲酸3-氧丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.