CS-1002066
Benzenesulfinic acid, 4-[3-(3-fluorophenyl)-4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl]-, sodium salt 1:1
Manufacturer: ChemScene
CAS Number: 1778703-67-5
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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
C₁₈H₁₅FNaO₄S
Molecular Weight
369.36
Synonyms
None
SMILES
[Na].O=C1C(C2=CC=CC(F)=C2)=C(OC1(C)C)C=3C=CC(=CC3)S(=O)O
Tpsa
63.6
Logp
3.2717
H Acceptors
3
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1778703-67-5 | 4-[3-(3-fluoro-phenyl)-5,5-dimethyl-4-oxo-4,5-dihydro-furan-2-yl]-benzenesulfinateSodium | A2B Chem | -- |
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https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₁₈H₁₅FNaO₄S
Molecular Weight: 369.36
Synonyms: None
SMILES: [Na].O=C1C(C2=CC=CC(F)=C2)=C(OC1(C)C)C=3C=CC(=CC3)S(=O)O
Tpsa: 63.6
Logp: 3.2717
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₅FNaO₄S
Molecular Weight:
369.36
Synonyms:
None
SMILES:
[Na].O=C1C(C2=CC=CC(F)=C2)=C(OC1(C)C)C=3C=CC(=CC3)S(=O)O
Tpsa:
63.6
Logp:
3.2717
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: C₁₀H₁₃NO₂
Molecular Weight: 179.22
Synonyms: None
SMILES: O=C(OC=1C=CC=CC1)C(N)(C)C
Tpsa: 52.32
Logp: 1.3293
H Acceptors: 3
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:
C₁₀H₁₃NO₂
Molecular Weight:
179.22
Synonyms:
None
SMILES:
O=C(OC=1C=CC=CC1)C(N)(C)C
Tpsa:
52.32
Logp:
1.3293
H Acceptors:
3
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: C₂₇H₂₇N₃O₄
Molecular Weight: 457.52
Synonyms: None
SMILES: N#CC=1C=CC=CC1C=2C=CC(=CC2)CN(C(=O)OC(C)(C)C)C=3C(N)=CC=CC3C(=O)OC
Tpsa: 105.65
Logp: 5.53578
H Acceptors: 6
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:
C₂₇H₂₇N₃O₄
Molecular Weight:
457.52
Synonyms:
None
SMILES:
N#CC=1C=CC=CC1C=2C=CC(=CC2)CN(C(=O)OC(C)(C)C)C=3C(N)=CC=CC3C(=O)OC
Tpsa:
105.65
Logp:
5.53578
H Acceptors:
6
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: C₂₁H₂₄N₄O₇
Molecular Weight: 444.44
Synonyms: None
SMILES: O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(C[C@]3(C(=C2O)C(=O)C=4C(C3)=C(N)C=C(N)C4O)[H])[H]
Tpsa: 213.43
Logp: -0.715
H Acceptors: 10
H Donors: 7
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:
C₂₁H₂₄N₄O₇
Molecular Weight:
444.44
Synonyms:
None
SMILES:
O[C@]12[C@]([C@H](N(C)C)C(O)=C(C(N)=O)C1=O)(C[C@]3(C(=C2O)C(=O)C=4C(C3)=C(N)C=C(N)C4O)[H])[H]
Tpsa:
213.43
Logp:
-0.715
H Acceptors:
10
H Donors:
7
Rotatable Bonds:
2