TL;DR: CARBAMIC ACID, METHYLNITROSO-, alpha-(ETHYLTHIO)-o-TOLYL ESTER (CAS 100836-62-2) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(ethylsulfanylmethyl)phenyl] N-methyl-N-nitrosocarbamate
Also Known As: Nitrosoethiofencarb, CARBAMIC ACID, METHYLNITROSO-, alpha-(ETHYLTHIO)-o-TOLYL ESTER, [2-(ethylsulfanylmethyl)phenyl] N-methyl-N-nitrosocarbamate, Methylnitrosocarbamic acid, alpha-(ethylthio)-o-tolyl ester, 2-[(ethylsulfanyl)methyl]phenyl methyl(nitroso)carbamate
| Molecular Formula | C11H14N2O3S |
| Molecular Weight | 254.07251 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 84.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.07251 Da |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
| SMILES | CCSCC1=CC=CC=C1OC(=O)N(C)N=O |
| InChIKey | SFMDFSSMVAMQHX-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CARBAMIC ACID, METHYLNITROSO-, alpha-(ETHYLTHIO)-o-TOLYL ESTER. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for CARBAMIC ACID, METHYLNITROSO-, alpha-(ETHYLTHIO)-o-TOLYL ESTER. Following Lipinski's Rule of Five, CARBAMIC ACID, METHYLNITROSO-, alpha-(ETHYLTHIO)-o-TOLYL ESTER has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of CARBAMIC ACID, METHYLNITROSO-, alpha-(ETHYLTHIO)-o-TOLYL ESTER is 100836-62-2.
The molecular formula of CARBAMIC ACID, METHYLNITROSO-, alpha-(ETHYLTHIO)-o-TOLYL ESTER is C11H14N2O3S.
The molecular weight of CARBAMIC ACID, METHYLNITROSO-, alpha-(ETHYLTHIO)-o-TOLYL ESTER is 254.07251 g/mol.
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