2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-
TL;DR: 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano- (CAS 95074-57-0) is a chemical compound with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enethioamide
Also Known As: 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-, 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enethioamide, 3-(2H-1,3-BENZODIOXOL-5-YL)-2-CYANOPROP-2-ENETHIOAMIDE
| Molecular Formula | C11H8N2O2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 1.60838 |
| Topological Polar Surface Area | 68.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.03065 |
| Heavy Atoms | 16 |
| Complexity | 517.2061 |
Chemical Identifiers
| CAS Number | 95074-57-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=S)N |
Product Overview
2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano- (CAS 95074-57-0), with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enethioamide.
Chemical Property Profile of 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-
Property Insights of 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-
The XLogP value of 1.60838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-. The TPSA of 68.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-. Following Lipinski's Rule of Five, 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano- 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 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-?
The CAS number of 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano- is 95074-57-0.
What is the molecular formula of 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-?
The molecular formula of 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano- is C11H8N2O2S.
What is the molecular weight of 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-?
The molecular weight of 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano- is 232.03 g/mol.
Where can I buy 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-?
You can request a quote for 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenethioamide, 3-(1,3-benzodioxol-5-yl)-2-cyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.