Name: Name:Thiocyanic acid, 5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl ester
Brand: Angene
SKU: AG0073SL
Rating: 90 (10 reviews)

Thiocyanic acid, 5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl ester

CAS No.:

19688-95-0

Catalog Number:

AG0073SL

Molecular Formula:

C11H10N4S

Molecular Weight:

230.2889

Catalog Number:

AG0073SL

Chemical Name:

Thiocyanic acid, 5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl ester

CAS Number:

19688-95-0

Molecular Formula:

C11H10N4S

Molecular Weight:

230.2889

MDL Number:

MFCD02704544

IUPAC Name:

(5-amino-3-methyl-1-phenylpyrazol-4-yl) thiocyanate

InChI:

InChI=1S/C11H10N4S/c1-8-10(16-7-12)11(13)15(14-8)9-5-3-2-4-6-9/h2-6H,13H2,1H3

InChI Key:

LRJWBZOWAHNTSL-UHFFFAOYSA-N

SMILES:

N#CSc1c(C)nn(c1N)c1ccccc1

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.289g/mol

Monoisotopic Mass:

230.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5