Terephthalic bis-thiosemicarbazone
TL;DR: Terephthalic bis-thiosemicarbazone (CAS 65613-01-6) is a chemical compound with molecular formula C10H12N6O2S2 and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-[(carbamothioylamino)carbamoyl]benzoyl]amino]thiourea
Also Known As: terephthalic bis-thiosemicarbazone, 2,2'-terephthaloylbis(hydrazinecarbothioamide), [[4-[(carbamothioylamino)carbamoyl]benzoyl]amino]thiourea, 2,2'-(benzene-1,4-diyldicarbonyl)dihydrazinecarbothioamide
| Molecular Formula | C10H12N6O2S2 |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | -1.3574 |
| Topological Polar Surface Area | 134.3 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.04633 |
| Heavy Atoms | 20 |
| Complexity | 496.18372 |
Chemical Identifiers
| CAS Number | 65613-01-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NNC(=S)N)C(=O)NNC(=S)N |
Product Overview
Terephthalic bis-thiosemicarbazone (CAS 65613-01-6), with molecular formula C10H12N6O2S2 and molecular weight 312.05 g/mol. IUPAC: [[4-[(carbamothioylamino)carbamoyl]benzoyl]amino]thiourea.
Chemical Property Profile of Terephthalic bis-thiosemicarbazone
Property Insights of Terephthalic bis-thiosemicarbazone
The XLogP value of -1.3574 indicates that Terephthalic bis-thiosemicarbazone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Terephthalic bis-thiosemicarbazone. Following Lipinski's Rule of Five, Terephthalic bis-thiosemicarbazone has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Terephthalic bis-thiosemicarbazone?
The CAS number of Terephthalic bis-thiosemicarbazone is 65613-01-6.
What is the molecular formula of Terephthalic bis-thiosemicarbazone?
The molecular formula of Terephthalic bis-thiosemicarbazone is C10H12N6O2S2.
What is the molecular weight of Terephthalic bis-thiosemicarbazone?
The molecular weight of Terephthalic bis-thiosemicarbazone is 312.05 g/mol.
Where can I buy Terephthalic bis-thiosemicarbazone?
You can request a quote for Terephthalic bis-thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Terephthalic bis-thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Terephthalic bis-thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.