Benzene-1,4-dicarbothioamide
TL;DR: Benzene-1,4-dicarbothioamide (CAS 13363-51-4) is a chemical compound with molecular formula C8H8N2S2 and molecular weight 196.0129 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzene-1,4-dicarbothioamide
Also Known As: benzene-1,4-dicarbothioamide, Benzene-1,4-dithiocarboxamide, Benzene-1,4-bis(carbothioamide), dithioterephthalamide, 1,4-Benzenedicarbothioamide
Technical Specifications
| Molecular Formula | C8H8N2S2 |
| Molecular Weight | 196.0129 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0129 Da |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| SMILES | C1=CC(=CC=C1C(=S)N)C(=S)N |
| InChIKey | USHPIZCRGQUHGN-UHFFFAOYSA-N |
Chemical Property Profile of Benzene-1,4-dicarbothioamide
Property Insights of Benzene-1,4-dicarbothioamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,4-dicarbothioamide. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene-1,4-dicarbothioamide. Following Lipinski's Rule of Five, Benzene-1,4-dicarbothioamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzene-1,4-dicarbothioamide?
The CAS number of Benzene-1,4-dicarbothioamide is 13363-51-4.
What is the molecular formula of Benzene-1,4-dicarbothioamide?
The molecular formula of Benzene-1,4-dicarbothioamide is C8H8N2S2.
What is the molecular weight of Benzene-1,4-dicarbothioamide?
The molecular weight of Benzene-1,4-dicarbothioamide is 196.0129 g/mol.
Where can I buy Benzene-1,4-dicarbothioamide?
You can request a quote for Benzene-1,4-dicarbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene-1,4-dicarbothioamide?
Yes, CoreyChem provides custom synthesis services for Benzene-1,4-dicarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.