3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride
TL;DR: 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride (CAS 878682-97-4) is a chemical compound with molecular formula C8H6ClNO3S2 and molecular weight 262.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-oxo-1,3-benzothiazole-6-sulfonyl chloride
Also Known As: 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride, ZERO/005212, 3-methyl-2-oxo-1,3-benzothiazole-6-sulfonyl chloride, ASN 10307580, 6-(chlorosulfonyl)-3-methyl-3-hydrobenzothiazol-2-one
| Molecular Formula | C8H6ClNO3S2 |
|---|---|
| Molecular Weight | 262.95 g/mol |
| LogP | 1.5275 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.94775 |
| Heavy Atoms | 15 |
| Complexity | 683.46497 |
Chemical Identifiers
| CAS Number | 878682-97-4 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)Cl)SC1=O |
Product Overview
3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride (CAS 878682-97-4), with molecular formula C8H6ClNO3S2 and molecular weight 262.95 g/mol. IUPAC: 3-methyl-2-oxo-1,3-benzothiazole-6-sulfonyl chloride.
Chemical Property Profile of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride
Property Insights of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride
The XLogP value of 1.5275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride. With a topological polar surface area (TPSA) of 56.14 Ų, 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-oxo-2,3-dihydro-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 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride?
The CAS number of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride is 878682-97-4.
What is the molecular formula of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride?
The molecular formula of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride is C8H6ClNO3S2.
What is the molecular weight of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride?
The molecular weight of 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride is 262.95 g/mol.
Where can I buy 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride?
You can request a quote for 3-Methyl-2-oxo-2,3-dihydro-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 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.