CS-0594881
(E)-(4-methoxy-4-oxobut-2-en-1-yl)dimethylsulfonium bromide
Manufacturer: ChemScene
CAS Number: 52919-94-5
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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
C₇H₁₃BrO₂S
Molecular Weight
241.15
Synonyms
None
SMILES
C[S+](C/C=C/C(OC)=O)C.[Br-]
Tpsa
26.3
Logp
-2.4025
H Acceptors
2
H Donors
0
Rotatable Bonds
3
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: C₇H₁₃BrO₂S
Molecular Weight: 241.15
Synonyms: None
SMILES: C[S+](C/C=C/C(OC)=O)C.[Br-]
Tpsa: 26.3
Logp: -2.4025
H Acceptors: 2
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:
C₇H₁₃BrO₂S
Molecular Weight:
241.15
Synonyms:
None
SMILES:
C[S+](C/C=C/C(OC)=O)C.[Br-]
Tpsa:
26.3
Logp:
-2.4025
H Acceptors:
2
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: C₁₄H₁₁ClN₂O₂S
Molecular Weight: 306.77
Synonyms: None
SMILES: CC1=CC(=NC2=C(C(=CN12)C3=C(C=CS3)Cl)C(=O)O)C
Tpsa: 54.6
Logp: 4.03124
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:
C₁₄H₁₁ClN₂O₂S
Molecular Weight:
306.77
Synonyms:
None
SMILES:
CC1=CC(=NC2=C(C(=CN12)C3=C(C=CS3)Cl)C(=O)O)C
Tpsa:
54.6
Logp:
4.03124
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: C₉H₇Cl₃N₂O₂
Molecular Weight: 281.52
Synonyms: None
SMILES: COC1=NC=C(C=C1)NC(=O)C(=C(Cl)Cl)Cl
Tpsa: 51.22
Logp: 2.9142
H Acceptors: 3
H Donors: 1
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:
C₉H₇Cl₃N₂O₂
Molecular Weight:
281.52
Synonyms:
None
SMILES:
COC1=NC=C(C=C1)NC(=O)C(=C(Cl)Cl)Cl
Tpsa:
51.22
Logp:
2.9142
H Acceptors:
3
H Donors:
1
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: C₁₄H₁₀ClN₃S
Molecular Weight: 287.77
Synonyms: None
SMILES: CC1=CC(=NC2=C(C(=CN12)C3=C(C=CS3)Cl)C#N)C
Tpsa: 41.09
Logp: 4.20472
H Acceptors: 4
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:
C₁₄H₁₀ClN₃S
Molecular Weight:
287.77
Synonyms:
None
SMILES:
CC1=CC(=NC2=C(C(=CN12)C3=C(C=CS3)Cl)C#N)C
Tpsa:
41.09
Logp:
4.20472
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1