Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate
TL;DR: Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate (CAS 152872-07-6) is a chemical compound with molecular formula C7H7N3O2S2 and molecular weight 228.99797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]carbamate
Also Known As: Methyl scnmtc, Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate, methyl N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]carbamate, Methyl (4-(isothiocyanatomethyl)-2-thiazolyl)carbamate, 4-(Isothiocyanatomethyl)thiazole-2-carbamic acid methyl ester
Technical Specifications
| Molecular Formula | C7H7N3O2S2 |
| Molecular Weight | 228.99797 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.99797 Da |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
| SMILES | COC(=O)NC1=NC(=CS1)CN=C=S |
| InChIKey | BEPWEXWVYZWWNC-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate
Property Insights of Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate. Following Lipinski's Rule of Five, Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate?
The CAS number of Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate is 152872-07-6.
What is the molecular formula of Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate?
The molecular formula of Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate is C7H7N3O2S2.
What is the molecular weight of Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate?
The molecular weight of Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate is 228.99797 g/mol.
Where can I buy Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate?
You can request a quote for Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(isothiocyanatomethyl)thiazole-2-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.