6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)-
TL;DR: 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)- (CAS 82746-87-0) is a chemical compound with molecular formula C18H16N6S2 and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-phenyltetrazol-1-yl)methyl]-2-prop-2-enylsulfanyl-1,3-benzothiazol-6-amine
Also Known As: 6-BENZOTHIAZOLAMINE,N-( -2- -, 6-BENZOTHIAZOLAMINE, N-((5-PHENYL-1H-TETRAZOL-1-YL)METHYL)-2-(2-PROPENYLTHIO)-, N-((5-Phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)-6-benzothiazolamine, N-[(5-phenyltetrazol-1-yl)methyl]-2-prop-2-enylsulfanyl-1,3-, N-[(5-phenyltetrazol-1-yl)methyl]-2-prop-2-enylsulfanyl-1,3-benzothiazol-6-amine
| Molecular Formula | C18H16N6S2 |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.0878 |
| Heavy Atoms | 26 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 82746-87-0 |
|---|---|
| SMILES | C=CCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=NN=N3)C4=CC=CC=C4 |
| InChIKey | OKLMEWBHLIECCB-UHFFFAOYSA-N |
Product Overview
6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)- (CAS 82746-87-0), with molecular formula C18H16N6S2 and molecular weight 380.09 g/mol. IUPAC: N-[(5-phenyltetrazol-1-yl)methyl]-2-prop-2-enylsulfanyl-1,3-benzothiazol-6-amine.
Chemical Property Profile of 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)-
Property Insights of 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)-
The XLogP value of 4.9 indicates that 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)-. Following Lipinski's Rule of Five, 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)- has 1 hydrogen bond donor(s) and 7 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 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)-?
The CAS number of 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)- is 82746-87-0.
What is the molecular formula of 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)-?
The molecular formula of 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)- is C18H16N6S2.
What is the molecular weight of 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)-?
The molecular weight of 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)- is 380.09 g/mol.
Where can I buy 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)-?
You can request a quote for 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-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 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzothiazolamine, N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-(2-propenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.