CS-0563388
1-((4-Fluorophenyl)sulfonyl)-4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Manufacturer: ChemScene
CAS Number: 866039-76-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₈H₁₇FN₂O₄S
Molecular Weight
376.40
Synonyms
None
SMILES
CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3)CCO
Tpsa
81.3
Logp
1.85832
H Acceptors
6
H Donors
1
Rotatable Bonds
5
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₇FN₂O₄S
Molecular Weight: 376.40
Synonyms: None
SMILES: CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3)CCO
Tpsa: 81.3
Logp: 1.85832
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₇FN₂O₄S
Molecular Weight:
376.40
Synonyms:
None
SMILES:
CC1=C(C(=O)N(N1S(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3)CCO
Tpsa:
81.3
Logp:
1.85832
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅ClF₃N₃O₂
Molecular Weight: 279.60
Synonyms: None
SMILES: CC1=NN2C(=C(C=NC2=C1Cl)C(=O)O)C(F)(F)F
Tpsa: 67.49
Logp: 2.40812
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅ClF₃N₃O₂
Molecular Weight:
279.60
Synonyms:
None
SMILES:
CC1=NN2C(=C(C=NC2=C1Cl)C(=O)O)C(F)(F)F
Tpsa:
67.49
Logp:
2.40812
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₆N₂OS₂
Molecular Weight: 352.47
Synonyms: 2-[(4-Methylphenyl)sulfanyl]-1-(3-methyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-2-yl)-1-ethanone
SMILES: CC1=CC=C(C=C1)SCC(=O)C2=C(N3C4=CC=CC=C4N=C3S2)C
Tpsa: 34.37
Logp: 5.14084
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₆N₂OS₂
Molecular Weight:
352.47
Synonyms:
2-[(4-Methylphenyl)sulfanyl]-1-(3-methyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-2-yl)-1-ethanone
SMILES:
CC1=CC=C(C=C1)SCC(=O)C2=C(N3C4=CC=CC=C4N=C3S2)C
Tpsa:
34.37
Logp:
5.14084
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₇F₃N₂O₂S
Molecular Weight: 276.23
Synonyms: Thieno[2,3-b]pyridine-2-carboxylic acid, 3-amino-6-(trifluoromethyl)-, methyl ester
SMILES: COC(=O)C1=C(C2=C(S1)N=C(C=C2)C(F)(F)F)N
Tpsa: 65.21
Logp: 2.6839
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₇F₃N₂O₂S
Molecular Weight:
276.23
Synonyms:
Thieno[2,3-b]pyridine-2-carboxylic acid, 3-amino-6-(trifluoromethyl)-, methyl ester
SMILES:
COC(=O)C1=C(C2=C(S1)N=C(C=C2)C(F)(F)F)N
Tpsa:
65.21
Logp:
2.6839
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1