CS-0881578
2-(3-Cyano-1,5-dimethyl-1H-pyrazol-4-yl)ethyl 4-methylbenzenesulfonate
Manufacturer: ChemScene
CAS Number: 2578839-03-7
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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
C₁₅H₁₇N₃O₃S
Molecular Weight
319.38
Synonyms
None
SMILES
N#CC1=NN(C)C(C)=C1CCOS(=O)(C2=CC=C(C)C=C2)=O
Tpsa
84.98
Logp
1.85662
H Acceptors
6
H Donors
0
Rotatable Bonds
5
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: C₁₅H₁₇N₃O₃S
Molecular Weight: 319.38
Synonyms: None
SMILES: N#CC1=NN(C)C(C)=C1CCOS(=O)(C2=CC=C(C)C=C2)=O
Tpsa: 84.98
Logp: 1.85662
H Acceptors: 6
H Donors: 0
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:
C₁₅H₁₇N₃O₃S
Molecular Weight:
319.38
Synonyms:
None
SMILES:
N#CC1=NN(C)C(C)=C1CCOS(=O)(C2=CC=C(C)C=C2)=O
Tpsa:
84.98
Logp:
1.85662
H Acceptors:
6
H Donors:
0
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: C₁₂H₁₄N₂O₂
Molecular Weight: 218.25
Synonyms: None
SMILES: O=C1NC2=C(C=CC(CO)=C2C)N=C1CC
Tpsa: 65.98
Logp: 1.28622
H Acceptors: 3
H Donors: 2
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:
C₁₂H₁₄N₂O₂
Molecular Weight:
218.25
Synonyms:
None
SMILES:
O=C1NC2=C(C=CC(CO)=C2C)N=C1CC
Tpsa:
65.98
Logp:
1.28622
H Acceptors:
3
H Donors:
2
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: C₁₁H₁₁BrN₂O
Molecular Weight: 267.12
Synonyms: None
SMILES: O=C1NC2=C(C=CC(Br)=C2C)N=C1CC
Tpsa: 45.75
Logp: 2.55642
H Acceptors: 2
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:
C₁₁H₁₁BrN₂O
Molecular Weight:
267.12
Synonyms:
None
SMILES:
O=C1NC2=C(C=CC(Br)=C2C)N=C1CC
Tpsa:
45.75
Logp:
2.55642
H Acceptors:
2
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: C₁₁H₁₂BrF₂N
Molecular Weight: 276.12
Synonyms: None
SMILES: CN1CC2=C(C(C(F)F)=CC(Br)=C2)CC1
Tpsa: 3.24
Logp: 3.3746
H Acceptors: 1
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:
C₁₁H₁₂BrF₂N
Molecular Weight:
276.12
Synonyms:
None
SMILES:
CN1CC2=C(C(C(F)F)=CC(Br)=C2)CC1
Tpsa:
3.24
Logp:
3.3746
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1