1-(3-Sulfophenyl)-3-methyl-2-pyrazolin-5-one - CAS 119-17-5

Catalog:	BB004427
Product Name:	1-(3-Sulfophenyl)-3-methyl-2-pyrazolin-5-one
CAS:	119-17-5
Synonyms:	3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Description:	1-(3-Sulfophenyl)-3-methyl-2-pyrazolin-5-one (CAS# 119-17-5) is a topical parasiticide and also used as a veterinary antihelminithic agent on animals.
Molecular Weight:	254.26
Molecular Formula:	C10H10N2O4S
Canonical SMILES:	CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)O
InChI:	InChI=1S/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16)
InChI Key:	VEMGKBUHUTYHHA-UHFFFAOYSA-N
Density:	1.53 g/cm³
MDL:	MFCD00043811
LogP:	1.62730

Publication Number	Title	Priority Date
CN-111675924-A	Pigment dispersion and coloring composition for forming coating film	20190311
JP-2020147632-A	Pigment dispersion and coloring composition for coating film formation	20190311
KR-20200108778-A	Pigment dispersion and coloring composition for forming coating layer	20190311
TW-202104191-A	Pigment dispersion and coloring composition for forming coating layer	20190311
CN-110652973-A	Sheet-like adsorbent and method for producing same	20180628

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Related Functional Groups

Pyrazoles

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1855911-19-1]
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[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	451
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.03612798
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	254.03612798
Rotatable Bond Count:	2
Topological Polar Surface Area:	95.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0