6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one
TL;DR: 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one (CAS 131030-03-0) is a chemical compound with molecular formula C8H6BrNO2S and molecular weight 258.93027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-3-(hydroxymethyl)-1,3-benzothiazol-2-one
Also Known As: 6-bromo-3-(hydroxymethyl)benzothiazol-2-one, 2(3H)-Benzothiazolone, 6-bromo-3-(hydroxymethyl)-, 6-bromo-3-(hydroxymethyl)-1,3-benzothiazol-2-one, 6-BROMO-3-HYDROXYMETHYL-2-BENZOTHIAZOLINONE, 6-bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one
Technical Specifications
| Molecular Formula | C8H6BrNO2S |
| Molecular Weight | 258.93027 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.93027 Da |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
| SMILES | C1=CC2=C(C=C1Br)SC(=O)N2CO |
| InChIKey | SALGXFSKOASVFN-UHFFFAOYSA-N |
Chemical Property Profile of 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one
Property Insights of 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one. Following Lipinski's Rule of Five, 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one?
The CAS number of 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one is 131030-03-0.
What is the molecular formula of 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one?
The molecular formula of 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one is C8H6BrNO2S.
What is the molecular weight of 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one?
The molecular weight of 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one is 258.93027 g/mol.
Where can I buy 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one?
You can request a quote for 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one?
Yes, CoreyChem provides custom synthesis services for 6-Bromo-3-(hydroxymethyl)-1,3-benzothiazol-2(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.