TL;DR: Carbamic acid, (3-iodo-2-thienyl)-, 1,1-dimethylethyl ester (CAS 119485-56-2) is a chemical compound with molecular formula C9H12INO2S and molecular weight 324.96335 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-(3-iodothiophen-2-yl)carbamate
Also Known As: tert-Butyl (3-iodothiophen-2-yl)carbamate, Tert-butyl N-(3-iodothiophen-2-yl)carbamate, tert-Butyl(3-iodothiophen-2-yl)carbamate, tert-butyl N-(3-iodo-2-thienyl)carbamate, Carbamic acid, (3-iodo-2-thienyl)-, 1,1-dimethylethyl ester
| Molecular Formula | C9H12INO2S |
| Molecular Weight | 324.96335 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.96335 Da |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
| SMILES | CC(C)(C)OC(=O)NC1=C(C=CS1)I |
| InChIKey | HKGOIHAFAPMYRQ-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Carbamic acid, (3-iodo-2-thienyl)-, 1,1-dimethylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (3-iodo-2-thienyl)-, 1,1-dimethylethyl ester. Following Lipinski's Rule of Five, Carbamic acid, (3-iodo-2-thienyl)-, 1,1-dimethylethyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbamic acid, (3-iodo-2-thienyl)-, 1,1-dimethylethyl ester is 119485-56-2.
The molecular formula of Carbamic acid, (3-iodo-2-thienyl)-, 1,1-dimethylethyl ester is C9H12INO2S.
The molecular weight of Carbamic acid, (3-iodo-2-thienyl)-, 1,1-dimethylethyl ester is 324.96335 g/mol.
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