200,000+ products from a single source!
sales@angenechem.com
1377581-60-6 | 1-(2-Amino-4-(trifluoromethyl)thiazol-5-yl)ethanone 4-methylbenzenesulfonate
CAS No: 1377581-60-6 Catalog No: AG0013SF MDL No:
Product Description
Catalog Number:
AG0013SF
Chemical Name:
1-(2-Amino-4-(trifluoromethyl)thiazol-5-yl)ethanone 4-methylbenzenesulfonate
CAS Number:
1377581-60-6
Molecular Formula:
C13H13F3N2O4S2
Molecular Weight:
382.3785
IUPAC Name:
1-[2-amino-4-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H8O3S.C6H5F3N2OS/c1-6-2-4-7(5-3-6)11(8,9)10;1-2(12)3-4(6(7,8)9)11-5(10)13-3/h2-5H,1H3,(H,8,9,10);1H3,(H2,10,11)
InChI Key:
JWTPSFISZGJFRZ-UHFFFAOYSA-N
SMILES:
Nc1sc(c(n1)C(F)(F)F)C(=O)C.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.027g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.372g/mol
Monoisotopic Mass:
382.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.