Benzothiazole, 6-nitro-2-(2-propenylthio)-
TL;DR: Benzothiazole, 6-nitro-2-(2-propenylthio)- (CAS 65611-86-1) is a chemical compound with molecular formula C10H8N2O2S2 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-prop-2-enylsulfanyl-1,3-benzothiazole
Also Known As: Benzothiazole, 6-nitro-2-(2-propenylthio)-, 2-allylmercapto-6-nitro-benzothiazole, 6-nitro-2-prop-2-enylsulfanyl-1,3-benzothiazole, 2-(allylsulfanyl)-6-nitro-1,3-benzothiazole, 6-Nitro-2-[(prop-2-en-1-yl)sulfanyl]-1,3-benzothiazole
| Molecular Formula | C10H8N2O2S2 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 3.4826 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.00272 |
| Heavy Atoms | 16 |
| Complexity | 550.7427 |
Chemical Identifiers
| CAS Number | 65611-86-1 |
|---|---|
| SMILES | C=CCSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
Benzothiazole, 6-nitro-2-(2-propenylthio)- (CAS 65611-86-1), with molecular formula C10H8N2O2S2 and molecular weight 252.00 g/mol. IUPAC: 6-nitro-2-prop-2-enylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 6-nitro-2-(2-propenylthio)-
Property Insights of Benzothiazole, 6-nitro-2-(2-propenylthio)-
The XLogP value of 3.4826 indicates that Benzothiazole, 6-nitro-2-(2-propenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, Benzothiazole, 6-nitro-2-(2-propenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 6-nitro-2-(2-propenylthio)- has 0 hydrogen bond donor(s) and 5 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 Benzothiazole, 6-nitro-2-(2-propenylthio)-?
The CAS number of Benzothiazole, 6-nitro-2-(2-propenylthio)- is 65611-86-1.
What is the molecular formula of Benzothiazole, 6-nitro-2-(2-propenylthio)-?
The molecular formula of Benzothiazole, 6-nitro-2-(2-propenylthio)- is C10H8N2O2S2.
What is the molecular weight of Benzothiazole, 6-nitro-2-(2-propenylthio)-?
The molecular weight of Benzothiazole, 6-nitro-2-(2-propenylthio)- is 252.00 g/mol.
Where can I buy Benzothiazole, 6-nitro-2-(2-propenylthio)-?
You can request a quote for Benzothiazole, 6-nitro-2-(2-propenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 6-nitro-2-(2-propenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 6-nitro-2-(2-propenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.