(5-Chloro-1,3-benzothiazol-2-yl)methanol
TL;DR: (5-Chloro-1,3-benzothiazol-2-yl)methanol (CAS 95547-71-0) is a chemical compound with molecular formula C8H6ClNOS and molecular weight 198.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-1,3-benzothiazol-2-yl)methanol
Also Known As: (5-chloro-1,3-benzothiazol-2-yl)methanol, 2-Benzothiazolemethanol, 5-chloro-, 821-086-3, RefChem:403895
| Molecular Formula | C8H6ClNOS |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | 2.442 |
| Topological Polar Surface Area | 33.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.98586 |
| Heavy Atoms | 12 |
| Complexity | 412.3501 |
Chemical Identifiers
| CAS Number | 95547-71-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N=C(S2)CO |
Product Overview
(5-Chloro-1,3-benzothiazol-2-yl)methanol (CAS 95547-71-0), with molecular formula C8H6ClNOS and molecular weight 198.99 g/mol. IUPAC: (5-chloro-1,3-benzothiazol-2-yl)methanol.
Chemical Property Profile of (5-Chloro-1,3-benzothiazol-2-yl)methanol
Property Insights of (5-Chloro-1,3-benzothiazol-2-yl)methanol
The XLogP value of 2.442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Chloro-1,3-benzothiazol-2-yl)methanol. With a topological polar surface area (TPSA) of 33.12 Ų, (5-Chloro-1,3-benzothiazol-2-yl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Chloro-1,3-benzothiazol-2-yl)methanol 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
Frequently Asked Questions
What is the CAS number of (5-Chloro-1,3-benzothiazol-2-yl)methanol?
The CAS number of (5-Chloro-1,3-benzothiazol-2-yl)methanol is 95547-71-0.
What is the molecular formula of (5-Chloro-1,3-benzothiazol-2-yl)methanol?
The molecular formula of (5-Chloro-1,3-benzothiazol-2-yl)methanol is C8H6ClNOS.
What is the molecular weight of (5-Chloro-1,3-benzothiazol-2-yl)methanol?
The molecular weight of (5-Chloro-1,3-benzothiazol-2-yl)methanol is 198.99 g/mol.
Where can I buy (5-Chloro-1,3-benzothiazol-2-yl)methanol?
You can request a quote for (5-Chloro-1,3-benzothiazol-2-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Chloro-1,3-benzothiazol-2-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloro-1,3-benzothiazol-2-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.