CS-0546159
4-(2-Hydroxyethyl)-2,5-dimethyl-1-(methylsulfonyl)-1,2-dihydro-3H-pyrazol-3-one
Manufacturer: ChemScene
CAS Number: 866039-68-1
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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
C₈H₁₄N₂O₄S
Molecular Weight
234.27
Synonyms
None
SMILES
CC1=C(C(=O)N(N1S(=O)(=O)C)C)CCO
Tpsa
81.3
Logp
-1.16228
H Acceptors
6
H Donors
1
Rotatable Bonds
3
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: C₈H₁₄N₂O₄S
Molecular Weight: 234.27
Synonyms: None
SMILES: CC1=C(C(=O)N(N1S(=O)(=O)C)C)CCO
Tpsa: 81.3
Logp: -1.16228
H Acceptors: 6
H Donors: 1
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:
C₈H₁₄N₂O₄S
Molecular Weight:
234.27
Synonyms:
None
SMILES:
CC1=C(C(=O)N(N1S(=O)(=O)C)C)CCO
Tpsa:
81.3
Logp:
-1.16228
H Acceptors:
6
H Donors:
1
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: C₁₉H₂₁N₃O₄
Molecular Weight: 355.39
Synonyms: 4-(2,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES: CC1=NN(C(=O)N1C2=C(C=C(C=C2)OC)OC)CC3=CC=C(C=C3)OC
Tpsa: 67.51
Logp: 2.41652
H Acceptors: 7
H Donors: 0
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:
C₁₉H₂₁N₃O₄
Molecular Weight:
355.39
Synonyms:
4-(2,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES:
CC1=NN(C(=O)N1C2=C(C=C(C=C2)OC)OC)CC3=CC=C(C=C3)OC
Tpsa:
67.51
Logp:
2.41652
H Acceptors:
7
H Donors:
0
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: C₁₆H₁₅N₃O
Molecular Weight: 265.31
Synonyms: 3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile
SMILES: CC1=C(C(=C2C(=N1)C3CCN2CC3)C4=CC=CO4)C#N
Tpsa: 53.06
Logp: 3.2191
H Acceptors: 4
H Donors: 0
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:
C₁₆H₁₅N₃O
Molecular Weight:
265.31
Synonyms:
3-(furan-2-yl)-5-methyl-1,6-diazatricyclo[6.2.2.0^{2,7}]dodeca-2(7),3,5-triene-4-carbonitrile
SMILES:
CC1=C(C(=C2C(=N1)C3CCN2CC3)C4=CC=CO4)C#N
Tpsa:
53.06
Logp:
3.2191
H Acceptors:
4
H Donors:
0
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: C₆H₉N₅O₂
Molecular Weight: 183.17
Synonyms: 2-(NITROMETHYLENE)-3-METHYL-2,3-DIHYDRO-1H-IMIDAZOLE-1-CARBOXIMIDAMIDE
SMILES: N=C(N1C=CN(C)C1=C[N+]([O-])=O)N
Tpsa: 99.49
Logp: -0.32593
H Acceptors: 4
H Donors: 2
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:
C₆H₉N₅O₂
Molecular Weight:
183.17
Synonyms:
2-(NITROMETHYLENE)-3-METHYL-2,3-DIHYDRO-1H-IMIDAZOLE-1-CARBOXIMIDAMIDE
SMILES:
N=C(N1C=CN(C)C1=C[N+]([O-])=O)N
Tpsa:
99.49
Logp:
-0.32593
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1