1-(Thiocyanato)propan-2-yl dimethylcarbamate
TL;DR: 1-(Thiocyanato)propan-2-yl dimethylcarbamate (CAS 64048-04-0) is a chemical compound with molecular formula C7H12N2O2S and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiocyanatopropan-2-yl N,N-dimethylcarbamate
Also Known As: Geigy G-31987, ENT 25,559-X, 1-thiocyanatopropan-2-yl dimethylcarbamate, 1-(Thiocyanato)propan-2-yl dimethylcarbamate, Thiocyanic acid, 2-hydroxypropyl ester, dimethylcarbamate
| Molecular Formula | C7H12N2O2S |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.06195 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 64048-04-0 |
|---|---|
| SMILES | CC(CSC#N)OC(=O)N(C)C |
| InChIKey | KAZRKOULDJEIRZ-UHFFFAOYSA-N |
Product Overview
1-(Thiocyanato)propan-2-yl dimethylcarbamate (CAS 64048-04-0), with molecular formula C7H12N2O2S and molecular weight 188.06 g/mol. IUPAC: 1-thiocyanatopropan-2-yl N,N-dimethylcarbamate.
Chemical Property Profile of 1-(Thiocyanato)propan-2-yl dimethylcarbamate
Property Insights of 1-(Thiocyanato)propan-2-yl dimethylcarbamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Thiocyanato)propan-2-yl dimethylcarbamate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Thiocyanato)propan-2-yl dimethylcarbamate. Following Lipinski's Rule of Five, 1-(Thiocyanato)propan-2-yl dimethylcarbamate has 0 hydrogen bond donor(s) and 4 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 1-(Thiocyanato)propan-2-yl dimethylcarbamate?
The CAS number of 1-(Thiocyanato)propan-2-yl dimethylcarbamate is 64048-04-0.
What is the molecular formula of 1-(Thiocyanato)propan-2-yl dimethylcarbamate?
The molecular formula of 1-(Thiocyanato)propan-2-yl dimethylcarbamate is C7H12N2O2S.
What is the molecular weight of 1-(Thiocyanato)propan-2-yl dimethylcarbamate?
The molecular weight of 1-(Thiocyanato)propan-2-yl dimethylcarbamate is 188.06 g/mol.
Where can I buy 1-(Thiocyanato)propan-2-yl dimethylcarbamate?
You can request a quote for 1-(Thiocyanato)propan-2-yl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Thiocyanato)propan-2-yl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Thiocyanato)propan-2-yl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.