2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide
TL;DR: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide (CAS 69560-25-4) is a chemical compound with molecular formula C12H13N3OS2 and molecular weight 279.05 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-(propan-2-ylideneamino)acetamide
Also Known As: BAS 00536109, (Benzothiazol-2-ylsulfanyl)-acetic acid isopropylidene-hydrazide, 2-(benzo[d]thiazol-2-ylthio)-N'-(propan-2-ylidene)acetohydrazide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(propan-2-ylideneamino)acetamide
| Molecular Formula | C12H13N3OS2 |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.05002 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 69560-25-4 |
|---|---|
| SMILES | CC(=NNC(=O)CSC1=NC2=CC=CC=C2S1)C |
| InChIKey | AUFHVKFAHOPUNE-UHFFFAOYSA-N |
Product Overview
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide (CAS 69560-25-4), with molecular formula C12H13N3OS2 and molecular weight 279.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(propan-2-ylideneamino)acetamide.
Chemical Property Profile of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide
Property Insights of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide has 1 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 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide?
The CAS number of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide is 69560-25-4.
What is the molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide?
The molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide is C12H13N3OS2.
What is the molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide?
The molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide is 279.05 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide?
You can request a quote for 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(propan-2-ylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.