CS-0601707
2-(3-Oxobenzo[d]isothiazol-2(3H)-yl)butanoic acid
Manufacturer: ChemScene
CAS Number: 126684-64-8
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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
C₁₁H₁₁NO₃S
Molecular Weight
237.27
Synonyms
None
SMILES
CCC(C(=O)O)N1C(=O)C2=CC=CC=C2S1
Tpsa
59.3
Logp
2.0987
H Acceptors
4
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 126684-64-8 | 1,2-Benzisothiazole-2(3H)-acetic acid, -alpha--ethyl-3-oxo- | A2B Chem | -- |
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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: C₁₁H₁₁NO₃S
Molecular Weight: 237.27
Synonyms: None
SMILES: CCC(C(=O)O)N1C(=O)C2=CC=CC=C2S1
Tpsa: 59.3
Logp: 2.0987
H Acceptors: 4
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:
C₁₁H₁₁NO₃S
Molecular Weight:
237.27
Synonyms:
None
SMILES:
CCC(C(=O)O)N1C(=O)C2=CC=CC=C2S1
Tpsa:
59.3
Logp:
2.0987
H Acceptors:
4
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: C₁₃H₁₀N₂O₄S
Molecular Weight: 290.29
Synonyms: None
SMILES: CCOC(=O)C1=C(N=C2N(C1=O)C3=CC=CC=C3S2)O
Tpsa: 80.9
Logp: 1.7915
H Acceptors: 7
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:
C₁₃H₁₀N₂O₄S
Molecular Weight:
290.29
Synonyms:
None
SMILES:
CCOC(=O)C1=C(N=C2N(C1=O)C3=CC=CC=C3S2)O
Tpsa:
80.9
Logp:
1.7915
H Acceptors:
7
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: C₇H₁₂N₂O₃
Molecular Weight: 172.18
Synonyms: None
SMILES: CN(C(=O)C1CCC(=O)N1)OC
Tpsa: 58.64
Logp: -0.7152
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:
C₇H₁₂N₂O₃
Molecular Weight:
172.18
Synonyms:
None
SMILES:
CN(C(=O)C1CCC(=O)N1)OC
Tpsa:
58.64
Logp:
-0.7152
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: C₁₁H₁₂F₂O
Molecular Weight: 198.21
Synonyms: None
SMILES: C1C[C@@H]([C@H](C1)O)C2=CC(=CC(=C2)F)F
Tpsa: 20.23
Logp: 2.5932
H Acceptors: 1
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:
C₁₁H₁₂F₂O
Molecular Weight:
198.21
Synonyms:
None
SMILES:
C1C[C@@H]([C@H](C1)O)C2=CC(=CC(=C2)F)F
Tpsa:
20.23
Logp:
2.5932
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1