![1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone structure](/static/products/5329/532951-91-0.webp)
1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone
TL;DR: 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone (CAS 532951-91-0) is a chemical compound with molecular formula C10H8N2O3S2 and molecular weight 268.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one
Also Known As: 1-[(6-NITRO-1,3-BENZOTHIAZOL-2-YL)THIO]ACETONE, 1-((6-Nitrobenzo[d]thiazol-2-yl)thio)propan-2-one, CHEMBRDG-BB7267234, 1-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one, CHEMBRDG-BB 7267234
| Molecular Formula | C10H8N2O3S2 |
|---|---|
| Molecular Weight | 268.00 g/mol |
| LogP | 2.8856 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.99762 |
| Heavy Atoms | 17 |
| Complexity | 594.2486 |
Chemical Identifiers
| CAS Number | 532951-91-0 |
|---|---|
| SMILES | CC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone (CAS 532951-91-0), with molecular formula C10H8N2O3S2 and molecular weight 268.00 g/mol. IUPAC: 1-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one.
Chemical Property Profile of 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone
Property Insights of 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone
The XLogP value of 2.8856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone. Following Lipinski's Rule of Five, 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone has 0 hydrogen bond donor(s) and 6 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 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone?
The CAS number of 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone is 532951-91-0.
What is the molecular formula of 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone?
The molecular formula of 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone is C10H8N2O3S2.
What is the molecular weight of 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone?
The molecular weight of 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone is 268.00 g/mol.
Where can I buy 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone?
You can request a quote for 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-[(6-Nitro-1,3-benzothiazol-2-YL)thio]acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.