CS-0554413
Ethyl 4-((6-methoxy-1H-benzo[d]imidazol-2-yl)thio)-3-oxobutanoate
Manufacturer: ChemScene
CAS Number: 959264-29-0
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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
C₁₄H₁₆N₂O₄S
Molecular Weight
308.35
Synonyms
ethyl 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxo-butanoate
SMILES
CCOC(=O)CC(=O)CSC1=NC2=C(N1)C=C(C=C2)OC
Tpsa
81.28
Logp
2.1859
H Acceptors
6
H Donors
1
Rotatable Bonds
7
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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: C₁₄H₁₆N₂O₄S
Molecular Weight: 308.35
Synonyms: ethyl 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxo-butanoate
SMILES: CCOC(=O)CC(=O)CSC1=NC2=C(N1)C=C(C=C2)OC
Tpsa: 81.28
Logp: 2.1859
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆N₂O₄S
Molecular Weight:
308.35
Synonyms:
ethyl 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-oxo-butanoate
SMILES:
CCOC(=O)CC(=O)CSC1=NC2=C(N1)C=C(C=C2)OC
Tpsa:
81.28
Logp:
2.1859
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₃N₃O₂
Molecular Weight: 267.28
Synonyms: 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
SMILES: CC1=NN(C(=C1C(=O)O)N2C=CC=C2)C3=CC=CC=C3
Tpsa: 60.05
Logp: 2.66962
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:
C₁₅H₁₃N₃O₂
Molecular Weight:
267.28
Synonyms:
3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
SMILES:
CC1=NN(C(=C1C(=O)O)N2C=CC=C2)C3=CC=CC=C3
Tpsa:
60.05
Logp:
2.66962
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: C₆H₃Cl₂N₃
Molecular Weight: 188.01
Synonyms: 3,7-Dichloro-1H-pyrazolo[3,4-c]pyridine
SMILES: C1=CN=C(C2=NNC(=C21)Cl)Cl
Tpsa: 41.57
Logp: 2.2647
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₃Cl₂N₃
Molecular Weight:
188.01
Synonyms:
3,7-Dichloro-1H-pyrazolo[3,4-c]pyridine
SMILES:
C1=CN=C(C2=NNC(=C21)Cl)Cl
Tpsa:
41.57
Logp:
2.2647
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀ClN₃O
Molecular Weight: 187.63
Synonyms: 2-Chloro-N-(1,5-dimethyl-1H-pyrazol-3-yl)-acetamide
SMILES: CC1=CC(=NN1C)NC(=O)CCl
Tpsa: 46.92
Logp: 0.90582
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:
C₇H₁₀ClN₃O
Molecular Weight:
187.63
Synonyms:
2-Chloro-N-(1,5-dimethyl-1H-pyrazol-3-yl)-acetamide
SMILES:
CC1=CC(=NN1C)NC(=O)CCl
Tpsa:
46.92
Logp:
0.90582
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2