6-thiocyanato-FAD
TL;DR: 6-thiocyanato-FAD (CAS 101760-87-6) is a chemical compound with molecular formula C28H32N10O15P2S and molecular weight 842.12445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-6-yl] thiocyanate
Also Known As: 6-Thiocyanato-fad, 6-Scn-fad, [10-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-6-yl] thiocyanate, Riboflavin 5'-(trihydrogen diphosphate), 6-thiocyanato-, 5'-5'-ester with adenosine, Riboflavin 5'-(trihydrogen diphosphate),6-thiocyanato-,5'-5'-ester with adenosine
Technical Specifications
| Molecular Formula | C28H32N10O15P2S |
| Molecular Weight | 842.12445 g/mol |
| XLogP | -4.4 |
| Topological Polar Surface Area (TPSA) | 406.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 14 |
| Exact Mass | 842.12445 Da |
| Heavy Atoms | 56 |
| Complexity | 1730.0 |
| SMILES | CC1=CC2=C(C(=C1C)SC#N)N=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O |
| InChIKey | PLNGEFWUGKMPAV-UHFFFAOYSA-N |
Product Description
Applications: 6-thiocyanato-FAD is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 6-thiocyanato-FAD (CAS 101760-87-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, 6-thiocyanato-FAD (CAS 101760-87-6) has the molecular formula C28H32N10O15P2S and a molecular weight of 842.12 g/mol. It is also known as 6-Thiocyanato-fad and 6-Scn-fad.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 6-thiocyanato-FAD
Property Insights of 6-thiocyanato-FAD
The XLogP value of -4.4 indicates that 6-thiocyanato-FAD is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 406.0 Ų indicates high polarity, suggesting 6-thiocyanato-FAD may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-thiocyanato-FAD has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-thiocyanato-FAD?
The CAS number of 6-thiocyanato-FAD is 101760-87-6.
What is the molecular formula of 6-thiocyanato-FAD?
The molecular formula of 6-thiocyanato-FAD is C28H32N10O15P2S.
What is the molecular weight of 6-thiocyanato-FAD?
The molecular weight of 6-thiocyanato-FAD is 842.12445 g/mol.
What are the applications of 6-thiocyanato-FAD?
6-thiocyanato-FAD is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 6-thiocyanato-FAD (CAS 101760-87-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy 6-thiocyanato-FAD?
You can request a quote for 6-thiocyanato-FAD directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-thiocyanato-FAD?
Yes, CoreyChem provides custom synthesis services for 6-thiocyanato-FAD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.