(R,E)-2-Methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide - CAS 1219607-83-6
Catalog: |
BB005306 |
Product Name: |
(R,E)-2-Methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide |
CAS: |
1219607-83-6 |
Synonyms: |
(NE,R)-2-methyl-N-(2,2,2-trifluoroethylidene)-2-propanesulfinamide; (NE,R)-2-methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide |
IUPAC Name: | (NE,R)-2-methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide |
Description: | (R,E)-2-Methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide (CAS# 1219607-83-6 ) is a useful research chemical. |
Molecular Weight: | 201.21 |
Molecular Formula: | C6H10F3NOS |
Canonical SMILES: | CC(C)(C)S(=O)N=CC(F)(F)F |
InChI: | InChI=1S/C6H10F3NOS/c1-5(2,3)12(11)10-4-6(7,8)9/h4H,1-3H3/b10-4+/t12-/m1/s1 |
InChI Key: | PLTNZADFUQGXSR-LHJMJDNXSA-N |
LogP: | 2.94740 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-9481674-B1 | Dihydropyrrolopyridine inhibitors of ROR-gamma | 20160610 |
EP-3207043-A1 | Dihydropyrrolopyridine inhibitors of ror-gamma | 20141014 |
EP-3207043-B1 | Dihydropyrrolopyridine inhibitors of ror-gamma | 20141014 |
EP-3207043-B3 | Dihydropyrrolopyridine inhibitors of ror-gamma | 20141014 |
US-10087184-B2 | Dihydropyrrolopyridine inhibitors of RORγ | 20141014 |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 201.04351960 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.04351960 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 48.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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