CS-0329416
3-Methyl-4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
Manufacturer: ChemScene
CAS Number: 118-07-0
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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
C₁₁H₁₂N₂O₄S
Molecular Weight
268.29
Synonyms
Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-
SMILES
CC1=CC(=CC=C1N2C(=O)CC(=N2)C)S(=O)(=O)O
Tpsa
87.04
Logp
1.35432
H Acceptors
4
H Donors
1
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 118-07-0 | Benzenesulfonic acid,4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl- | A2B Chem | -- |
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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-P330-P362+P364-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: C₁₁H₁₂N₂O₄S
Molecular Weight: 268.29
Synonyms: Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-
SMILES: CC1=CC(=CC=C1N2C(=O)CC(=N2)C)S(=O)(=O)O
Tpsa: 87.04
Logp: 1.35432
H Acceptors: 4
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:
C₁₁H₁₂N₂O₄S
Molecular Weight:
268.29
Synonyms:
Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-
SMILES:
CC1=CC(=CC=C1N2C(=O)CC(=N2)C)S(=O)(=O)O
Tpsa:
87.04
Logp:
1.35432
H Acceptors:
4
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: C₉H₁₃ClN₆
Molecular Weight: 240.69
Synonyms: None
SMILES: C1CN(CCN1)C2=C3C(=NC=N2)NC=N3.Cl
Tpsa: 69.73
Logp: 0.1843
H Acceptors: 5
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:
C₉H₁₃ClN₆
Molecular Weight:
240.69
Synonyms:
None
SMILES:
C1CN(CCN1)C2=C3C(=NC=N2)NC=N3.Cl
Tpsa:
69.73
Logp:
0.1843
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C7H9Cl2NO
Molecular Weight: 194.06
Synonyms: 3-(chloromethyl)-2-methoxypyridine,hydrochloride
SMILES: COC1=C(C=CC=N1)CCl.Cl
Tpsa: 22.12
Logp: 2.2508
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C7H9Cl2NO
Molecular Weight:
194.06
Synonyms:
3-(chloromethyl)-2-methoxypyridine,hydrochloride
SMILES:
COC1=C(C=CC=N1)CCl.Cl
Tpsa:
22.12
Logp:
2.2508
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀N₂O₃
Molecular Weight: 218.21
Synonyms: None
SMILES: COC1=CC=CC(=C1)N2C=C(C=N2)C(=O)O
Tpsa: 64.35
Logp: 1.5791
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀N₂O₃
Molecular Weight:
218.21
Synonyms:
None
SMILES:
COC1=CC=CC(=C1)N2C=C(C=N2)C(=O)O
Tpsa:
64.35
Logp:
1.5791
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3