Hydroxymethylthiobenzothiazole
TL;DR: Hydroxymethylthiobenzothiazole (CAS 98554-69-9) is a chemical compound with molecular formula C8H7NOS2 and molecular weight 197.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylsulfanylmethanol
Also Known As: hydroxymethylthiobenzothiazole, (1,3-Benzothiazol-2-ylsulfanyl)methanol, 1,3-benzothiazol-2-ylsulfanylmethanol, Methanol, (2-benzothiazolylthio)- (6CI)
| Molecular Formula | C8H7NOS2 |
|---|---|
| Molecular Weight | 197.00 g/mol |
| LogP | 2.3382 |
| Topological Polar Surface Area | 33.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.9969 |
| Heavy Atoms | 12 |
| Complexity | 352.19324 |
Chemical Identifiers
| CAS Number | 98554-69-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCO |
Product Overview
Hydroxymethylthiobenzothiazole (CAS 98554-69-9), with molecular formula C8H7NOS2 and molecular weight 197.00 g/mol. IUPAC: 1,3-benzothiazol-2-ylsulfanylmethanol.
Chemical Property Profile of Hydroxymethylthiobenzothiazole
Property Insights of Hydroxymethylthiobenzothiazole
The XLogP value of 2.3382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxymethylthiobenzothiazole. With a topological polar surface area (TPSA) of 33.12 Ų, Hydroxymethylthiobenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxymethylthiobenzothiazole has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydroxymethylthiobenzothiazole?
The CAS number of Hydroxymethylthiobenzothiazole is 98554-69-9.
What is the molecular formula of Hydroxymethylthiobenzothiazole?
The molecular formula of Hydroxymethylthiobenzothiazole is C8H7NOS2.
What is the molecular weight of Hydroxymethylthiobenzothiazole?
The molecular weight of Hydroxymethylthiobenzothiazole is 197.00 g/mol.
Where can I buy Hydroxymethylthiobenzothiazole?
You can request a quote for Hydroxymethylthiobenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxymethylthiobenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for Hydroxymethylthiobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.