TL;DR: Taurine chloroethylnitrosourea (CAS 115700-21-5) is a chemical compound with molecular formula C5H10ClN3O5S and molecular weight 259.00296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethanesulfonic acid
Also Known As: DC 102 Antibiotic, Taurine chloroethylnitrosourea, 2-aminoethanesulfonic acid,1-(2-chloroethyl)-1-nitrosourea, 2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethanesulfonic acid, Ethanesulfonic acid,2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]
| Molecular Formula | C5H10ClN3O5S |
| Molecular Weight | 259.00296 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.00296 Da |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
| SMILES | C(CS(=O)(=O)O)NC(=O)N(CCCl)N=O |
| InChIKey | CIBONNMMDHURPP-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that Taurine chloroethylnitrosourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Taurine chloroethylnitrosourea. Following Lipinski's Rule of Five, Taurine chloroethylnitrosourea has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Taurine chloroethylnitrosourea is 115700-21-5.
The molecular formula of Taurine chloroethylnitrosourea is C5H10ClN3O5S.
The molecular weight of Taurine chloroethylnitrosourea is 259.00296 g/mol.
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