TL;DR: Thiazolo[5, 7-[(phenylmethyl)thio]- (CAS 110973-57-4) is a chemical compound with molecular formula C12H9N3S2 and molecular weight 259.0238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-benzylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
Also Known As: THIAZOLOPYRIMIDINE DERIV, MGS-1-B03, Thiazolo[5, 7-[(phenylmethyl)thio]-, 7-benzylmercapto-thiazolo[5,4-d]pyrimidine, 7-benzylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
| Molecular Formula | C12H9N3S2 |
| Molecular Weight | 259.0238 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0238 Da |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
| SMILES | C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CS3 |
| InChIKey | CLJFPNGGFRACIE-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Thiazolo[5, 7-[(phenylmethyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiazolo[5, 7-[(phenylmethyl)thio]-. Following Lipinski's Rule of Five, Thiazolo[5, 7-[(phenylmethyl)thio]- 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 Thiazolo[5, 7-[(phenylmethyl)thio]- is 110973-57-4.
The molecular formula of Thiazolo[5, 7-[(phenylmethyl)thio]- is C12H9N3S2.
The molecular weight of Thiazolo[5, 7-[(phenylmethyl)thio]- is 259.0238 g/mol.
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