1,1'-硫代羰基二咪唑
TL;DR: 1,1'-硫代羰基二咪唑 (CAS 6160-65-2) is a chemical compound with molecular formula C7H6N4S and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1'-硫代羰基二咪唑
di(imidazol-1-yl)methanethione
Also Known As: 1,1'-Thiocarbonyldiimidazole, Thiocarbonyldiimidazole, null, N,N'-Thiocarbonyldiimidazole, di(imidazol-1-yl)methanethione
| Molecular Formula | C7H6N4S |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.03131 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 6160-65-2 |
|---|---|
| SMILES | C1=CN(C=N1)C(=S)N2C=CN=C2 |
| InChIKey | RAFNCPHFRHZCPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-硫代羰基二咪唑 (CAS 6160-65-2), with molecular formula C7H6N4S and molecular weight 178.03 g/mol. IUPAC: di(imidazol-1-yl)methanethione.
Chemical Property Profile of 1,1'-硫代羰基二咪唑
Property Insights of 1,1'-硫代羰基二咪唑
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-硫代羰基二咪唑. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-硫代羰基二咪唑. Following Lipinski's Rule of Five, 1,1'-硫代羰基二咪唑 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
Frequently Asked Questions
What is the CAS number of 1,1'-硫代羰基二咪唑?
The CAS number of 1,1'-硫代羰基二咪唑 is 6160-65-2.
What is the molecular formula of 1,1'-硫代羰基二咪唑?
The molecular formula of 1,1'-硫代羰基二咪唑 is C7H6N4S.
What is the molecular weight of 1,1'-硫代羰基二咪唑?
The molecular weight of 1,1'-硫代羰基二咪唑 is 178.03 g/mol.
Where can I buy 1,1'-硫代羰基二咪唑?
You can request a quote for 1,1'-硫代羰基二咪唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-硫代羰基二咪唑?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-硫代羰基二咪唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.