1,3-Benzenedicarbothioamide
TL;DR: 1,3-Benzenedicarbothioamide (CAS 3030-54-4) is a chemical compound with molecular formula C8H8N2S2 and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarbothioamide
Also Known As: 1,3-Benzenedicarbothioamide, Benzene-1,3-dithiocarboxamide, benzene-1,3-dicarbothioamide, Dithioisophthalamid, Dithioisophthalamide
| Molecular Formula | C8H8N2S2 |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 0.955 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0129 |
| Heavy Atoms | 12 |
| Complexity | 304.3347 |
Chemical Identifiers
| CAS Number | 3030-54-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=S)N)C(=S)N |
Product Overview
1,3-Benzenedicarbothioamide (CAS 3030-54-4), with molecular formula C8H8N2S2 and molecular weight 196.01 g/mol. IUPAC: benzene-1,3-dicarbothioamide.
Chemical Property Profile of 1,3-Benzenedicarbothioamide
Property Insights of 1,3-Benzenedicarbothioamide
The XLogP value of 0.955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarbothioamide. With a topological polar surface area (TPSA) of 52.04 Ų, 1,3-Benzenedicarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarbothioamide 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
Frequently Asked Questions
What is the CAS number of 1,3-Benzenedicarbothioamide?
The CAS number of 1,3-Benzenedicarbothioamide is 3030-54-4.
What is the molecular formula of 1,3-Benzenedicarbothioamide?
The molecular formula of 1,3-Benzenedicarbothioamide is C8H8N2S2.
What is the molecular weight of 1,3-Benzenedicarbothioamide?
The molecular weight of 1,3-Benzenedicarbothioamide is 196.01 g/mol.
Where can I buy 1,3-Benzenedicarbothioamide?
You can request a quote for 1,3-Benzenedicarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.