propanedinitrile, 2(3H)-benzothiazolylidene-
TL;DR: propanedinitrile, 2(3H)-benzothiazolylidene- (CAS 4464-52-2) is a chemical compound with molecular formula C10H5N3S and molecular weight 199.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3H-1,3-benzothiazol-2-ylidene)propanedinitrile
Also Known As: 2-dicyanomethylene-benzothiazole, 1,3-benzothiazol-2(3H)-ylidenemalononitrile, Benzothiazole-2(3H)-ylidenemalononitrile, propanedinitrile, 2(3H)-benzothiazolylidene-, 2-(Benzo[d]thiazol-2(3H)-ylidene)malononitrile
| Molecular Formula | C10H5N3S |
|---|---|
| Molecular Weight | 199.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.02042 |
| Heavy Atoms | 14 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 4464-52-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=C(C#N)C#N)S2 |
| InChIKey | VUNPYDYMOWBARG-UHFFFAOYSA-N |
Product Overview
propanedinitrile, 2(3H)-benzothiazolylidene- (CAS 4464-52-2), with molecular formula C10H5N3S and molecular weight 199.02 g/mol. IUPAC: 2-(3H-1,3-benzothiazol-2-ylidene)propanedinitrile.
Chemical Property Profile of propanedinitrile, 2(3H)-benzothiazolylidene-
Property Insights of propanedinitrile, 2(3H)-benzothiazolylidene-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propanedinitrile, 2(3H)-benzothiazolylidene-. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for propanedinitrile, 2(3H)-benzothiazolylidene-. Following Lipinski's Rule of Five, propanedinitrile, 2(3H)-benzothiazolylidene- has 1 hydrogen bond donor(s) and 4 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 propanedinitrile, 2(3H)-benzothiazolylidene-?
The CAS number of propanedinitrile, 2(3H)-benzothiazolylidene- is 4464-52-2.
What is the molecular formula of propanedinitrile, 2(3H)-benzothiazolylidene-?
The molecular formula of propanedinitrile, 2(3H)-benzothiazolylidene- is C10H5N3S.
What is the molecular weight of propanedinitrile, 2(3H)-benzothiazolylidene-?
The molecular weight of propanedinitrile, 2(3H)-benzothiazolylidene- is 199.02 g/mol.
Where can I buy propanedinitrile, 2(3H)-benzothiazolylidene-?
You can request a quote for propanedinitrile, 2(3H)-benzothiazolylidene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propanedinitrile, 2(3H)-benzothiazolylidene-?
Yes, KEHONG BIO provides custom synthesis services for propanedinitrile, 2(3H)-benzothiazolylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.