N,N-Dimethyl-pentafluorthiopropionhydrazid
TL;DR: N,N-Dimethyl-pentafluorthiopropionhydrazid (CAS 4454-59-5) is a chemical compound with molecular formula C12H12F14N4S2 and molecular weight 542.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[N-(dimethylamino)-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]sulfanyl N-(dimethylamino)-2,2,3,3,4,4,4-heptafluorobutanimidothioate
Also Known As: N,N-Dimethyl-pentafluorthiopropionhydrazid, Disulfide, bis(heptafluorobutyryl), bis(dimethylhydrazone), [N-(dimethylamino)-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]sulfanyl N-(dimethylamino)-2,2,3,3,4,4,4-heptafluorobutanimidothioate, [N-(dimethylamino)-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbon, N-[[1-(N-DIMETHYLAMINO-C-(1,1,2,2,3,3,3-HEPTAFLUOROPROPYL)CARBONIMIDOYL)DISULFANYL-2,2,3,3,4,4,4-HEPTAFLUORO-BUTYLIDENE]AMINO]-N-METHYL-METHANAMINE
| Molecular Formula | C12H12F14N4S2 |
|---|---|
| Molecular Weight | 542.03 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.02795 |
| Heavy Atoms | 32 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 4454-59-5 |
|---|---|
| SMILES | CN(C)N=C(C(C(C(F)(F)F)(F)F)(F)F)SSC(=NN(C)C)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | LRNYGGCMTKDLGK-UHFFFAOYSA-N |
Product Overview
N,N-Dimethyl-pentafluorthiopropionhydrazid (CAS 4454-59-5), with molecular formula C12H12F14N4S2 and molecular weight 542.03 g/mol. IUPAC: [N-(dimethylamino)-C-(1,1,2,2,3,3,3-heptafluoropropyl)carbonimidoyl]sulfanyl N-(dimethylamino)-2,2,3,3,4,4,4-heptafluorobutanimidothioate.
Chemical Property Profile of N,N-Dimethyl-pentafluorthiopropionhydrazid
Property Insights of N,N-Dimethyl-pentafluorthiopropionhydrazid
The XLogP value of 6.9 indicates that N,N-Dimethyl-pentafluorthiopropionhydrazid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-Dimethyl-pentafluorthiopropionhydrazid. Following Lipinski's Rule of Five, N,N-Dimethyl-pentafluorthiopropionhydrazid has 0 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-Dimethyl-pentafluorthiopropionhydrazid?
The CAS number of N,N-Dimethyl-pentafluorthiopropionhydrazid is 4454-59-5.
What is the molecular formula of N,N-Dimethyl-pentafluorthiopropionhydrazid?
The molecular formula of N,N-Dimethyl-pentafluorthiopropionhydrazid is C12H12F14N4S2.
What is the molecular weight of N,N-Dimethyl-pentafluorthiopropionhydrazid?
The molecular weight of N,N-Dimethyl-pentafluorthiopropionhydrazid is 542.03 g/mol.
Where can I buy N,N-Dimethyl-pentafluorthiopropionhydrazid?
You can request a quote for N,N-Dimethyl-pentafluorthiopropionhydrazid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Dimethyl-pentafluorthiopropionhydrazid?
Yes, KEHONG BIO provides custom synthesis services for N,N-Dimethyl-pentafluorthiopropionhydrazid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.