Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-
TL;DR: Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio- (CAS 102339-02-6) is a chemical compound with molecular formula C11H15N3O2S and molecular weight 253.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(dimethylaminocarbamothioylamino)benzoate
Also Known As: Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-, methyl 2-(dimethylaminocarbamothioylamino)benzoate, 1,1-Dimethyl-4-(2-carbomethoxyphenyl)-3-thiosemicarbazide, NCI60_022000, 1,1-Dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thiosemicarbazide
Technical Specifications
| Molecular Formula | C11H15N3O2S |
| Molecular Weight | 253.0885 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.0885 Da |
| Heavy Atoms | 17 |
| Complexity | 284.0 |
| SMILES | CN(C)NC(=S)NC1=CC=CC=C1C(=O)OC |
| InChIKey | LMUKXZWJNISFSJ-UHFFFAOYSA-N |
Chemical Property Profile of Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-
Property Insights of Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-. Following Lipinski's Rule of Five, Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-?
The CAS number of Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio- is 102339-02-6.
What is the molecular formula of Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-?
The molecular formula of Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio- is C11H15N3O2S.
What is the molecular weight of Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-?
The molecular weight of Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio- is 253.0885 g/mol.
Where can I buy Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-?
You can request a quote for Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-?
Yes, CoreyChem provides custom synthesis services for Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.