Sulphinpyrazone
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Product Description
Product
Sulphinpyrazone
CAS
57-96-5
Formula
C23H20N2O3S
Synonym
Sulphinpyrazone; UNII-V6OFU47K3W; USAF GE-13; (+)-SULFINPYRAZONE; (+/-)-SULFINPYRAZONE; 1,2-Diphenyl-3,5-dioxo-4-(2'-phenyl-sulfinyl-aethyl)-pyrazolidin; 1,2-Diphenyl-3,5-dioxo-4-(2'-phenyl-sulfinyl-aethyl)-pyrazolidin [German]; 1,2-Diphenyl-3,5-dioxo-4-(2-phenylsulfinylethyl)pyrazolidine; 1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-3,5-pyrazolidinedione; 1,2-Diphenyl-4-(2'-phenylsulfinethyl)-3,5-pyrazolidinedione; 1,2-DIPHENYL-4-(PHENYLSUFINYLETHYL)-3,5-PYRAZOLIDINEDIONE; 1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione; 1,2-DIPHENYL-4-[PHENYLSULFINYLETHYL]-3,5-PYRAZOLIDINEDIONE; 3,5-Pyrazolidinedione, 1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-; 3,5-Pyrazolidinedione, 1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]-; 4-(2-Benzenesulfinylethyl)-1,2-diphenylpyrazolidine-3,5-dione; 4-(Phenylsulfoxyethyl)-1,2-diphenyl-3,5-pyrazolidinedione; 5-25-02-00397 (Beilstein Handbook Reference); Anturan; Anturane; Anturanil; Anturano; Anturen; Anturidin; BRN 0713597; Diphenylpyrazone; EINECS 200-357-4; Enturan; Enturen; G 28,315; G 28315; HSDB 3396; NSC 75925; SALOR-INT L129682-1EA; Sulfinpirazona; Sulfinpirazona [INN-Spanish]; Sulfinpyrazine; Sulfinpyrazon; SULFINPYRAZONE; Sulfinpyrazonum; Sulfinpyrazonum [INN-Latin]; sulfoxyphenyl pyrazolidine; Sulfoxyphenylpyrazolidine
Typical Product Specifications
Molecular weight
404.48
EINECS
200-357-4
SMILES
c1ccc(cc1)N2C(=O)C(C(=O)N2c3ccccc3)CCS(=O)c4ccccc4
InChI
1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKey
MBGGBVCUIVRRBF-UHFFFAOYSA-N
Atmospheric OH Rate Constant
9.96E-11 cm3/molecule-sec
log P (octanol-water)
2.3
Vapor Pressure
1.65E-14 mm Hg
Water solubility
31.2 mg/L
pKa Dissociation Constant
3.25
Melting Point
136-137 ° C
Henry's Law Constant
5.01E-16 atm-m3/mole
Molecular weight
267.30
EINECS
204-858-9
SMILES
Cc1c(noc1NS(=O)(=O)c2ccc(cc2)N)C
InChI
1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
InChIKey
NHUHCSRWZMLRLA-UHFFFAOYSA-N
Stability
Stable. Incompatible with strong oxidizin
Water solubility
<0.1 g/100 mL at 22.5 ºC
Merck
13,9041
Melting Point
195°C
Storage Temperature
2-8°C
Melting Point
191 ° C
Vapor Pressure
5.08E-08 mm Hg
log P (octanol-water)
1.01
Water solubility
300 mg/L
Atmospheric OH Rate Constant
3.24E-11 cm3/molecule-sec
Henry's Law Constant
1.06E-12 atm-m3/mole
Solubility
acetone: complete50 mg/ml
Class
Sulphinpyrazone
Product Description
Product
Sulphinpyrazone
CAS
57-96-5
Formula
C23H20N2O3S
Synonym
Sulphinpyrazone; UNII-V6OFU47K3W; USAF GE-13; (+)-SULFINPYRAZONE; (+/-)-SULFINPYRAZONE; 1,2-Diphenyl-3,5-dioxo-4-(2'-phenyl-sulfinyl-aethyl)-pyrazolidin; 1,2-Diphenyl-3,5-dioxo-4-(2'-phenyl-sulfinyl-aethyl)-pyrazolidin [German]; 1,2-Diphenyl-3,5-dioxo-4-(2-phenylsulfinylethyl)pyrazolidine; 1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-3,5-pyrazolidinedione; 1,2-Diphenyl-4-(2'-phenylsulfinethyl)-3,5-pyrazolidinedione; 1,2-DIPHENYL-4-(PHENYLSUFINYLETHYL)-3,5-PYRAZOLIDINEDIONE; 1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione; 1,2-DIPHENYL-4-[PHENYLSULFINYLETHYL]-3,5-PYRAZOLIDINEDIONE; 3,5-Pyrazolidinedione, 1,2-diphenyl-4-(2-(phenylsulfinyl)ethyl)-; 3,5-Pyrazolidinedione, 1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]-; 4-(2-Benzenesulfinylethyl)-1,2-diphenylpyrazolidine-3,5-dione; 4-(Phenylsulfoxyethyl)-1,2-diphenyl-3,5-pyrazolidinedione; 5-25-02-00397 (Beilstein Handbook Reference); Anturan; Anturane; Anturanil; Anturano; Anturen; Anturidin; BRN 0713597; Diphenylpyrazone; EINECS 200-357-4; Enturan; Enturen; G 28,315; G 28315; HSDB 3396; NSC 75925; SALOR-INT L129682-1EA; Sulfinpirazona; Sulfinpirazona [INN-Spanish]; Sulfinpyrazine; Sulfinpyrazon; SULFINPYRAZONE; Sulfinpyrazonum; Sulfinpyrazonum [INN-Latin]; sulfoxyphenyl pyrazolidine; Sulfoxyphenylpyrazolidine
Typical Product Specifications
Molecular weight
404.48
EINECS
200-357-4
SMILES
c1ccc(cc1)N2C(=O)C(C(=O)N2c3ccccc3)CCS(=O)c4ccccc4
InChI
1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKey
MBGGBVCUIVRRBF-UHFFFAOYSA-N
Atmospheric OH Rate Constant
9.96E-11 cm3/molecule-sec
log P (octanol-water)
2.3
Vapor Pressure
1.65E-14 mm Hg
Water solubility
31.2 mg/L
pKa Dissociation Constant
3.25
Melting Point
136-137 ° C
Henry's Law Constant
5.01E-16 atm-m3/mole
Molecular weight
267.30
EINECS
204-858-9
SMILES
Cc1c(noc1NS(=O)(=O)c2ccc(cc2)N)C
InChI
1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
InChIKey
NHUHCSRWZMLRLA-UHFFFAOYSA-N
Stability
Stable. Incompatible with strong oxidizin
Water solubility
<0.1 g/100 mL at 22.5 ºC
Merck
13,9041
Melting Point
195°C
Storage Temperature
2-8°C
Melting Point
191 ° C
Vapor Pressure
5.08E-08 mm Hg
log P (octanol-water)
1.01
Water solubility
300 mg/L
Atmospheric OH Rate Constant
3.24E-11 cm3/molecule-sec
Henry's Law Constant
1.06E-12 atm-m3/mole
Solubility
acetone: complete50 mg/ml
Class
