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 |
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 |
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 |
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 |
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 |
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