Name: Name:5-Amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-1H-pyrazole-1-carbothioic acid S-2-propen-1-yl ester
Brand: Angene
SKU: AG00DNFC
Rating: 90 (10 reviews)

5-Amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-1H-pyrazole-1-carbothioic acid S-2-propen-1-yl ester

CAS No.:

473798-59-3

Catalog Number:

AG00DNFC

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00DNFC

Chemical Name:

5-Amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-1H-pyrazole-1-carbothioic acid S-2-propen-1-yl ester

CAS Number:

473798-59-3

MDL Number:

MFCD23103560

IUPAC Name:

S-prop-2-enyl 5-amino-4-(2-methylphenyl)-3-oxo-2-propan-2-ylpyrazole-1-carbothioate

InChI:

InChI=1S/C17H21N3O2S/c1-5-10-23-17(22)20-15(18)14(16(21)19(20)11(2)3)13-9-7-6-8-12(13)4/h5-9,11H,1,10,18H2,2-4H3

InChI Key:

UTOHZQYBSYOOGC-UHFFFAOYSA-N

UNII:

2N3SPH9RQG

Complexity:

530

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.135g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

331.434g/mol

Monoisotopic Mass:

331.135g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8