ChemDiv3_001071
TL;DR: ChemDiv3_001071 (CAS 142994-71-6) is a chemical compound with molecular formula C16H14N2S and molecular weight 266.08777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: ChemDiv3_001071, 2-[(E)-(PHENYLMETHYLIDENE)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBONITRILE, 2-(benzylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Technical Specifications
| Molecular Formula | C16H14N2S |
| Molecular Weight | 266.08777 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.08777 Da |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
| SMILES | C1CCC2=C(C1)C(=C(S2)N=CC3=CC=CC=C3)C#N |
| InChIKey | PEJFIJKXDWYKHM-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv3_001071
Property Insights of ChemDiv3_001071
The XLogP value of 4.2 indicates that ChemDiv3_001071 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001071. Following Lipinski's Rule of Five, ChemDiv3_001071 has 0 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 ChemDiv3_001071?
The CAS number of ChemDiv3_001071 is 142994-71-6.
What is the molecular formula of ChemDiv3_001071?
The molecular formula of ChemDiv3_001071 is C16H14N2S.
What is the molecular weight of ChemDiv3_001071?
The molecular weight of ChemDiv3_001071 is 266.08777 g/mol.
Where can I buy ChemDiv3_001071?
You can request a quote for ChemDiv3_001071 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv3_001071?
Yes, CoreyChem provides custom synthesis services for ChemDiv3_001071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.