C16H16N5O3S.Cl
TL;DR: C16H16N5O3S.Cl (CAS 14970-38-8) is a chemical compound with molecular formula C16H16ClN5O3S and molecular weight 393.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-[methyl-(4-nitrophenyl)hydrazinylidene]azanium chloride
Also Known As: Benzothiazolium, 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)-1-triazenyl]-, chloride, Benzothiazolium, 6-methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)-1-triazenyl)-, chloride, 6-Methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triaz-1-en-1-yl]-1,3-benzothiazol-3-ium chloride, 6-METHOXY-3-METHYL-2-[3-METHYL-3-(4-NITROPHENYL)TRIAZEN-1-YL]BENZOTHIAZOLIUM CHLORIDE, Benzothiazolium, 6-methoxy-3-methyl-2-(3-methyl-3-(4-nitrophenyl)-1-triazenyl)-, chloride (1:1)
| Molecular Formula | C16H16ClN5O3S |
|---|---|
| Molecular Weight | 393.07 g/mol |
| LogP | -0.23 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.06622 |
| Heavy Atoms | 26 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 14970-38-8 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)OC)SC1=[N+]=NN(C)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-] |
| InChIKey | ULJTXYUETZXPSS-UHFFFAOYSA-M |
Product Overview
C16H16N5O3S.Cl (CAS 14970-38-8), with molecular formula C16H16ClN5O3S and molecular weight 393.07 g/mol. IUPAC: (6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-[methyl-(4-nitrophenyl)hydrazinylidene]azanium chloride.
Chemical Property Profile of C16H16N5O3S.Cl
Property Insights of C16H16N5O3S.Cl
The XLogP value of -0.23 indicates that C16H16N5O3S.Cl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H16N5O3S.Cl. Following Lipinski's Rule of Five, C16H16N5O3S.Cl has 0 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 C16H16N5O3S.Cl?
The CAS number of C16H16N5O3S.Cl is 14970-38-8.
What is the molecular formula of C16H16N5O3S.Cl?
The molecular formula of C16H16N5O3S.Cl is C16H16ClN5O3S.
What is the molecular weight of C16H16N5O3S.Cl?
The molecular weight of C16H16N5O3S.Cl is 393.07 g/mol.
Where can I buy C16H16N5O3S.Cl?
You can request a quote for C16H16N5O3S.Cl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H16N5O3S.Cl?
Yes, KEHONG BIO provides custom synthesis services for C16H16N5O3S.Cl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.