Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide
TL;DR: Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide (CAS 94768-91-9) is a chemical compound with molecular formula C16H12N4O3S2 and molecular weight 372.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Also Known As: BAS 00536120, (2-Benzothiazolylthio)acetic acid ((3-nitrophenyl)methylene)hydrazide, ACETIC ACID, (2-BENZOTHIAZOLYLTHIO)-, ((3-NITROPHENYL)METHYLENE)HYDRAZIDE, (Benzothiazol-2-ylsulfanyl)-acetic acid (3-nitro-benzylidene)-hydrazide, (E)-2-(benzo[d]thiazol-2-ylthio)-N'-(3-nitrobenzylidene)acetohydrazide
| Molecular Formula | C16H12N4O3S2 |
|---|---|
| Molecular Weight | 372.04 g/mol |
| LogP | 3.4469 |
| Topological Polar Surface Area | 97.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.0351 |
| Heavy Atoms | 25 |
| Complexity | 922.21265 |
Chemical Identifiers
| CAS Number | 94768-91-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide (CAS 94768-91-9), with molecular formula C16H12N4O3S2 and molecular weight 372.04 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.
Chemical Property Profile of Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide
Property Insights of Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide
The XLogP value of 3.4469 indicates that Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide. Following Lipinski's Rule of Five, Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide 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 Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide?
The CAS number of Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide is 94768-91-9.
What is the molecular formula of Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide?
The molecular formula of Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide is C16H12N4O3S2.
What is the molecular weight of Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide?
The molecular weight of Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide is 372.04 g/mol.
Where can I buy Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide?
You can request a quote for Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (2-benzothiazolylthio)-, ((3-nitrophenyl)methylene)hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.