硫氰酸二乙基氨基甲酰甲酯
TL;DR: 硫氰酸二乙基氨基甲酰甲酯 (CAS 73908-97-1) is a chemical compound with molecular formula C7H12N2OS and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸二乙基氨基甲酰甲酯
[2-(diethylamino)-2-oxoethyl] thiocyanate
Also Known As: N,N-Diethyl-2-thiocyanatoacetamide, Thiocyanic acid, diethylcarbamoylmethyl ester, Thiocyanic acid, 2-(diethylamino)-2-oxoethyl ester, Acetamide, N,N-diethyl-2-thiocyanato-, N,N-diethyl-2-thiocyanato-acetamide
| Molecular Formula | C7H12N2OS |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.06703 |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 73908-97-1 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC#N |
| InChIKey | RMOLMHPLFIVJBX-UHFFFAOYSA-N |
Product Overview
硫氰酸二乙基氨基甲酰甲酯 (CAS 73908-97-1), with molecular formula C7H12N2OS and molecular weight 172.07 g/mol. IUPAC: [2-(diethylamino)-2-oxoethyl] thiocyanate.
Chemical Property Profile of 硫氰酸二乙基氨基甲酰甲酯
Property Insights of 硫氰酸二乙基氨基甲酰甲酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸二乙基氨基甲酰甲酯. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫氰酸二乙基氨基甲酰甲酯. Following Lipinski's Rule of Five, 硫氰酸二乙基氨基甲酰甲酯 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 硫氰酸二乙基氨基甲酰甲酯?
The CAS number of 硫氰酸二乙基氨基甲酰甲酯 is 73908-97-1.
What is the molecular formula of 硫氰酸二乙基氨基甲酰甲酯?
The molecular formula of 硫氰酸二乙基氨基甲酰甲酯 is C7H12N2OS.
What is the molecular weight of 硫氰酸二乙基氨基甲酰甲酯?
The molecular weight of 硫氰酸二乙基氨基甲酰甲酯 is 172.07 g/mol.
Where can I buy 硫氰酸二乙基氨基甲酰甲酯?
You can request a quote for 硫氰酸二乙基氨基甲酰甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸二乙基氨基甲酰甲酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸二乙基氨基甲酰甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.