CS-1036549
4-Ethyl-5-phenethyl-4H-1,2,4-triazole-3-sulfonic acid
Manufacturer: ChemScene
CAS Number: 1864054-13-6
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₅N₃O₃S
Molecular Weight
281.33
Synonyms
None
SMILES
O=S(=O)(O)C1=NN=C(N1CC)CCC=2C=CC=CC2
Tpsa
85.08
Logp
1.3299
H Acceptors
5
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅N₃O₃S
Molecular Weight: 281.33
Synonyms: None
SMILES: O=S(=O)(O)C1=NN=C(N1CC)CCC=2C=CC=CC2
Tpsa: 85.08
Logp: 1.3299
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅N₃O₃S
Molecular Weight:
281.33
Synonyms:
None
SMILES:
O=S(=O)(O)C1=NN=C(N1CC)CCC=2C=CC=CC2
Tpsa:
85.08
Logp:
1.3299
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₁N₃O
Molecular Weight: 141.17
Synonyms: None
SMILES: OCC1=C(N=NN1CC)C
Tpsa: 50.94
Logp: 0.09872
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₁N₃O
Molecular Weight:
141.17
Synonyms:
None
SMILES:
OCC1=C(N=NN1CC)C
Tpsa:
50.94
Logp:
0.09872
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₁F₂N₃O₂
Molecular Weight: 291.25
Synonyms: None
SMILES: O=C1C=2C=CC=CC2C(=O)N1CC3=NN(C=C3)CC(F)F
Tpsa: 55.2
Logp: 1.9444
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₁F₂N₃O₂
Molecular Weight:
291.25
Synonyms:
None
SMILES:
O=C1C=2C=CC=CC2C(=O)N1CC3=NN(C=C3)CC(F)F
Tpsa:
55.2
Logp:
1.9444
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈ClF₂NO₄S
Molecular Weight: 299.68
Synonyms: None
SMILES: O=C(OCC)C1=CC(=CN=C1C(F)F)S(=O)(=O)Cl
Tpsa: 73.33
Logp: 2.1234
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈ClF₂NO₄S
Molecular Weight:
299.68
Synonyms:
None
SMILES:
O=C(OCC)C1=CC(=CN=C1C(F)F)S(=O)(=O)Cl
Tpsa:
73.33
Logp:
2.1234
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4