CS-0545407
Ethyl 3-oxobenzo[d]isothiazole-2(3H)-carboxylate 1,1-dioxide
Manufacturer: ChemScene
CAS Number: 6971-09-1
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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
C₁₀H₉NO₅S
Molecular Weight
255.25
Synonyms
Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide
SMILES
CCOC(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O
Tpsa
80.75
Logp
0.9876
H Acceptors
5
H Donors
0
Rotatable Bonds
1
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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: C₁₀H₉NO₅S
Molecular Weight: 255.25
Synonyms: Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide
SMILES: CCOC(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O
Tpsa: 80.75
Logp: 0.9876
H Acceptors: 5
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:
C₁₀H₉NO₅S
Molecular Weight:
255.25
Synonyms:
Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide
SMILES:
CCOC(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O
Tpsa:
80.75
Logp:
0.9876
H Acceptors:
5
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: C₇H₁₄N₂O₂
Molecular Weight: 158.20
Synonyms: None
SMILES: O=C(NC)C(NCC(C)C)=O
Tpsa: 58.2
Logp: -0.4954
H Acceptors: 2
H Donors: 2
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:
C₇H₁₄N₂O₂
Molecular Weight:
158.20
Synonyms:
None
SMILES:
O=C(NC)C(NCC(C)C)=O
Tpsa:
58.2
Logp:
-0.4954
H Acceptors:
2
H Donors:
2
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: C₁₈H₁₄F₃N₃O₃
Molecular Weight: 377.32
Synonyms: 2-({2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]propanoyl}amino)benzenecarboxylic acid
SMILES: CC(C(=O)NC1=CC=CC=C1C(=O)O)N2C3=CC=CC=C3N=C2C(F)(F)F
Tpsa: 84.22
Logp: 3.953
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₄F₃N₃O₃
Molecular Weight:
377.32
Synonyms:
2-({2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]propanoyl}amino)benzenecarboxylic acid
SMILES:
CC(C(=O)NC1=CC=CC=C1C(=O)O)N2C3=CC=CC=C3N=C2C(F)(F)F
Tpsa:
84.22
Logp:
3.953
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₁N₃O₃S₂
Molecular Weight: 321.37
Synonyms: Thieno[2,3-b]quinoline-2-carboxylic acid, 2-(methylsulfonyl)hydrazide
SMILES: CS(=O)(=O)NNC(=O)C1=CC2=CC3=CC=CC=C3N=C2S1
Tpsa: 88.16
Logp: 1.6435
H Acceptors: 5
H Donors: 2
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:
C₁₃H₁₁N₃O₃S₂
Molecular Weight:
321.37
Synonyms:
Thieno[2,3-b]quinoline-2-carboxylic acid, 2-(methylsulfonyl)hydrazide
SMILES:
CS(=O)(=O)NNC(=O)C1=CC2=CC3=CC=CC=C3N=C2S1
Tpsa:
88.16
Logp:
1.6435
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3