CS-1091011
5-Acetyl-2-(allylthio)-6-methylnicotinonitrile
Manufacturer: ChemScene
CAS Number: 337922-68-6
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Purity
90%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₂N₂OS
Molecular Weight
232.30
Synonyms
None
SMILES
N#CC=1C=C(C(=O)C)C(=NC1SCC=C)C
Tpsa
53.75
Logp
2.7424
H Acceptors
4
H Donors
0
Rotatable Bonds
4
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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: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂N₂OS
Molecular Weight: 232.30
Synonyms: None
SMILES: N#CC=1C=C(C(=O)C)C(=NC1SCC=C)C
Tpsa: 53.75
Logp: 2.7424
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂N₂OS
Molecular Weight:
232.30
Synonyms:
None
SMILES:
N#CC=1C=C(C(=O)C)C(=NC1SCC=C)C
Tpsa:
53.75
Logp:
2.7424
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀ClN₃O₄
Molecular Weight: 271.66
Synonyms: None
SMILES: O=C(OC)NN=C(C1=CC=C(Cl)C(=C1)N(=O)=O)C
Tpsa: 93.83
Logp: 2.3282
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀ClN₃O₄
Molecular Weight:
271.66
Synonyms:
None
SMILES:
O=C(OC)NN=C(C1=CC=C(Cl)C(=C1)N(=O)=O)C
Tpsa:
93.83
Logp:
2.3282
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O₃S₂
Molecular Weight: 256.30
Synonyms: None
SMILES: O=S(=O)(OC1=CC=C(C=C1)C=2N=NSC2)C
Tpsa: 69.15
Logp: 1.5435
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 3
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈N₂O₃S₂
Molecular Weight:
256.30
Synonyms:
None
SMILES:
O=S(=O)(OC1=CC=C(C=C1)C=2N=NSC2)C
Tpsa:
69.15
Logp:
1.5435
H Acceptors:
6
H Donors:
0
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: C₂₅H₂₂ClNO₄
Molecular Weight: 435.90
Synonyms: None
SMILES: ClC(C=CC=C1)=C1C[C@@H](C(O)=O)N(C)C(OCC2C3=CC=CC=C3C4=CC=CC=C42)=O
Tpsa: 66.84
Logp: 5.2166
H Acceptors: 3
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:
C₂₅H₂₂ClNO₄
Molecular Weight:
435.90
Synonyms:
None
SMILES:
ClC(C=CC=C1)=C1C[C@@H](C(O)=O)N(C)C(OCC2C3=CC=CC=C3C4=CC=CC=C42)=O
Tpsa:
66.84
Logp:
5.2166
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6