CS-0547080
(E)-1-methyl-2-(3-oxobut-1-en-1-yl)pyridin-1-ium iodide
Manufacturer: ChemScene
CAS Number: 468744-26-5
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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
C₁₀H₁₂INO
Molecular Weight
289.11
Synonyms
None
SMILES
CC(/C=C/C1=CC=CC=[N+]1C)=O.[I-]
Tpsa
20.95
Logp
-1.8827
H Acceptors
1
H Donors
0
Rotatable Bonds
2
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂INO
Molecular Weight: 289.11
Synonyms: None
SMILES: CC(/C=C/C1=CC=CC=[N+]1C)=O.[I-]
Tpsa: 20.95
Logp: -1.8827
H Acceptors: 1
H Donors: 0
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:
C₁₀H₁₂INO
Molecular Weight:
289.11
Synonyms:
None
SMILES:
CC(/C=C/C1=CC=CC=[N+]1C)=O.[I-]
Tpsa:
20.95
Logp:
-1.8827
H Acceptors:
1
H Donors:
0
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: C₁₃H₂₂N₂OS
Molecular Weight: 254.39
Synonyms: 5-(4-Pentylcyclohexyl)-1,3,4-oxadiazol-2-ylhydrosulfide
SMILES: CCCCCC1CCC(CC1)C2=NNC(=S)O2
Tpsa: 41.82
Logp: 4.58629
H Acceptors: 3
H Donors: 1
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:
C₁₃H₂₂N₂OS
Molecular Weight:
254.39
Synonyms:
5-(4-Pentylcyclohexyl)-1,3,4-oxadiazol-2-ylhydrosulfide
SMILES:
CCCCCC1CCC(CC1)C2=NNC(=S)O2
Tpsa:
41.82
Logp:
4.58629
H Acceptors:
3
H Donors:
1
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: C₁₅H₁₄N₂O
Molecular Weight: 238.28
Synonyms: None
SMILES: O=C1NC(C2=CC=C(C)C=C2)=NC(C)=C1CC#C
Tpsa: 45.75
Logp: 2.22944
H Acceptors: 2
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:
C₁₅H₁₄N₂O
Molecular Weight:
238.28
Synonyms:
None
SMILES:
O=C1NC(C2=CC=C(C)C=C2)=NC(C)=C1CC#C
Tpsa:
45.75
Logp:
2.22944
H Acceptors:
2
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: C₁₃H₁₃NO₂S
Molecular Weight: 247.31
Synonyms: 4-hydroxy-2-[4-(propan-2-yl)phenyl]-6H-1,3-thiazin-6-one
SMILES: CC(C)C1=CC=C(C=C1)C2=NC(=CC(=O)S2)O
Tpsa: 50.19
Logp: 2.9993
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:
C₁₃H₁₃NO₂S
Molecular Weight:
247.31
Synonyms:
4-hydroxy-2-[4-(propan-2-yl)phenyl]-6H-1,3-thiazin-6-one
SMILES:
CC(C)C1=CC=C(C=C1)C2=NC(=CC(=O)S2)O
Tpsa:
50.19
Logp:
2.9993
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2