![3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile structure](/static/products/866/86691-41-0.png)
3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile
TL;DR: 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile (CAS 86691-41-0) is a chemical compound with molecular formula C10H10N4S and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[amino(1,3-benzothiazol-2-yl)amino]propanenitrile
Also Known As: 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile, 3-(1-(Benzo[d]thiazol-2-yl)hydrazinyl)propanenitrile, benzothiazolylhydrazinopropanenitrile, 1047AF, 3-[amino(1,3-benzothiazol-2-yl)amino]propanenitrile
| Molecular Formula | C10H10N4S |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.89008 |
| Topological Polar Surface Area | 65.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.06262 |
| Heavy Atoms | 15 |
| Complexity | 466.33685 |
Chemical Identifiers
| CAS Number | 86691-41-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N(CCC#N)N |
Product Overview
3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile (CAS 86691-41-0), with molecular formula C10H10N4S and molecular weight 218.06 g/mol. IUPAC: 3-[amino(1,3-benzothiazol-2-yl)amino]propanenitrile.
Chemical Property Profile of 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile
Property Insights of 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile
The XLogP value of 1.89008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile. The TPSA of 65.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile. Following Lipinski's Rule of Five, 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile 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 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile?
The CAS number of 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile is 86691-41-0.
What is the molecular formula of 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile?
The molecular formula of 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile is C10H10N4S.
What is the molecular weight of 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile?
The molecular weight of 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile is 218.06 g/mol.
Where can I buy 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile?
You can request a quote for 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(1,3-Benzothiazol-2-yl)hydrazino]-propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.