Name: Name:2-Thiophenesulfonyl chloride, 5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-
Brand: Angene
SKU: AG001X2S
Rating: 90 (10 reviews)

2-Thiophenesulfonyl chloride, 5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-

CAS No.:

166964-31-4

Catalog Number:

AG001X2S

Molecular Formula:

C9H6ClF3N2O2S2

Molecular Weight:

330.7343

Catalog Number:

AG001X2S

Chemical Name:

2-Thiophenesulfonyl chloride, 5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-

CAS Number:

166964-31-4

Molecular Formula:

C9H6ClF3N2O2S2

Molecular Weight:

330.7343

MDL Number:

MFCD00216477

IUPAC Name:

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonyl chloride

InChI:

InChI=1S/C9H6ClF3N2O2S2/c1-15-7(9(11,12)13)4-5(14-15)6-2-3-8(18-6)19(10,16)17/h2-4H,1H3

InChI Key:

BWVNHXIGDZASCP-UHFFFAOYSA-N

SMILES:

Cn1nc(cc1C(F)(F)F)c1ccc(s1)S(=O)(=O)Cl

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

329.951g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

330.724g/mol

Monoisotopic Mass:

329.951g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9