CS-0548932
4-(2-Hydroxyethyl)-1-(mesitylsulfonyl)-2,5-dimethyl-1,2-dihydro-3H-pyrazol-3-one
Manufacturer: ChemScene
CAS Number: 866039-65-8
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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
C₁₆H₂₂N₂O₄S
Molecular Weight
338.42
Synonyms
4-(2-hydroxyethyl)-2,5-dimethyl-1-(2,4,6-trimethylbenzenesulfonyl)-2,3-dihydro-1H-pyrazol-3-one
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=C(C(=O)N2C)CCO)C)C
Tpsa
81.3
Logp
1.19228
H Acceptors
6
H Donors
1
Rotatable Bonds
4
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: C₁₆H₂₂N₂O₄S
Molecular Weight: 338.42
Synonyms: 4-(2-hydroxyethyl)-2,5-dimethyl-1-(2,4,6-trimethylbenzenesulfonyl)-2,3-dihydro-1H-pyrazol-3-one
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=C(C(=O)N2C)CCO)C)C
Tpsa: 81.3
Logp: 1.19228
H Acceptors: 6
H Donors: 1
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:
C₁₆H₂₂N₂O₄S
Molecular Weight:
338.42
Synonyms:
4-(2-hydroxyethyl)-2,5-dimethyl-1-(2,4,6-trimethylbenzenesulfonyl)-2,3-dihydro-1H-pyrazol-3-one
SMILES:
CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=C(C(=O)N2C)CCO)C)C
Tpsa:
81.3
Logp:
1.19228
H Acceptors:
6
H Donors:
1
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: C₁₃H₁₃ClF₃N₃O₄
Molecular Weight: 367.71
Synonyms: Pentanedioic acid, 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]-, 1,5-dimethyl ester
SMILES: COC(=O)CC(=NNC1=C(C=C(C=N1)C(F)(F)F)Cl)CC(=O)OC
Tpsa: 89.88
Logp: 2.6479
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃ClF₃N₃O₄
Molecular Weight:
367.71
Synonyms:
Pentanedioic acid, 3-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]-, 1,5-dimethyl ester
SMILES:
COC(=O)CC(=NNC1=C(C=C(C=N1)C(F)(F)F)Cl)CC(=O)OC
Tpsa:
89.88
Logp:
2.6479
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇ClN₂O₄
Molecular Weight: 300.74
Synonyms: None
SMILES: CC(C)N1C(C(N(C1=O)C2=CC(=C(C=C2)OC)Cl)O)O
Tpsa: 73.24
Logp: 1.6358
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇ClN₂O₄
Molecular Weight:
300.74
Synonyms:
None
SMILES:
CC(C)N1C(C(N(C1=O)C2=CC(=C(C=C2)OC)Cl)O)O
Tpsa:
73.24
Logp:
1.6358
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₃ClF₃N₃S₃
Molecular Weight: 329.77
Synonyms: None
SMILES: C1=C(C=NC(=C1Cl)SC2=NNC(=S)S2)C(F)(F)F
Tpsa: 41.57
Logp: 4.41909
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₃ClF₃N₃S₃
Molecular Weight:
329.77
Synonyms:
None
SMILES:
C1=C(C=NC(=C1Cl)SC2=NNC(=S)S2)C(F)(F)F
Tpsa:
41.57
Logp:
4.41909
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2