(2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide
TL;DR: (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide (CAS 100781-98-4) is a chemical compound with molecular formula C14H11N3S and molecular weight 253.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide
Also Known As: (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide, (2Z)-2-cyano-3-[(naphthalen-2-yl)amino]prop-2-enethioamide, (Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide, (Z)-2-cyano-3-(2-naphthylamino)prop-2-enethioamide
Technical Specifications
| Molecular Formula | C14H11N3S |
| Molecular Weight | 253.06737 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.06737 Da |
| Heavy Atoms | 18 |
| Complexity | 393.0 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)N/C=C(/C#N)\C(=S)N |
| InChIKey | ZDANHPFVDLMRQZ-XFXZXTDPSA-N |
Chemical Property Profile of (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide
Property Insights of (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide
The XLogP value of 3.3 indicates that (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide. Following Lipinski's Rule of Five, (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide?
The CAS number of (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide is 100781-98-4.
What is the molecular formula of (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide?
The molecular formula of (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide is C14H11N3S.
What is the molecular weight of (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide?
The molecular weight of (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide is 253.06737 g/mol.
Where can I buy (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide?
You can request a quote for (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide?
Yes, CoreyChem provides custom synthesis services for (2Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.