2-Methyl-1,3-benzothiazole-6-sulfonyl chloride
TL;DR: 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride (CAS 919040-98-5) is a chemical compound with molecular formula C8H6ClNO2S2 and molecular weight 246.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,3-benzothiazole-6-sulfonyl chloride
Also Known As: 2-methyl-1,3-benzothiazole-6-sulfonyl chloride, 2-methylbenzo[d]thiazole-6-sulfonyl chloride, 2-Methyl-benzothiazole-6-sulfonyl chloride, 2-methylbenzothiazole-6-sulfonyl chloride, ZERO/008201
| Molecular Formula | C8H6ClNO2S2 |
|---|---|
| Molecular Weight | 246.95 g/mol |
| LogP | 2.53222 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.95285 |
| Heavy Atoms | 14 |
| Complexity | 588.4071 |
Chemical Identifiers
| CAS Number | 919040-98-5 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)Cl |
Product Overview
2-Methyl-1,3-benzothiazole-6-sulfonyl chloride (CAS 919040-98-5), with molecular formula C8H6ClNO2S2 and molecular weight 246.95 g/mol. IUPAC: 2-methyl-1,3-benzothiazole-6-sulfonyl chloride.
Chemical Property Profile of 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride
Property Insights of 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride
The XLogP value of 2.53222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride. With a topological polar surface area (TPSA) of 47.03 Ų, 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride has 0 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 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride?
The CAS number of 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride is 919040-98-5.
What is the molecular formula of 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride?
The molecular formula of 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride is C8H6ClNO2S2.
What is the molecular weight of 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride?
The molecular weight of 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride is 246.95 g/mol.
Where can I buy 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride?
You can request a quote for 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.