CS-0499696
3-Oxo-3-(3-((trifluoromethyl)thio)phenyl)propanenitrile
Manufacturer: ChemScene
CAS Number: 677713-04-1
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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
C₁₀H₆F₃NOS
Molecular Weight
245.22
Synonyms
None
SMILES
FC(F)(F)SC1=CC=CC(=C1)C(=O)CC#N
Tpsa
40.86
Logp
3.39488
H Acceptors
3
H Donors
0
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 677713-04-1 | 3-Oxo-3-(3-((trifluoromethyl)thio)phenyl)propanenitrile | A2B Chem | -- |
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: C₁₀H₆F₃NOS
Molecular Weight: 245.22
Synonyms: None
SMILES: FC(F)(F)SC1=CC=CC(=C1)C(=O)CC#N
Tpsa: 40.86
Logp: 3.39488
H Acceptors: 3
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:
C₁₀H₆F₃NOS
Molecular Weight:
245.22
Synonyms:
None
SMILES:
FC(F)(F)SC1=CC=CC(=C1)C(=O)CC#N
Tpsa:
40.86
Logp:
3.39488
H Acceptors:
3
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: C₁₁H₂₂N₃O₄S+
Molecular Weight: 292.37
Synonyms: None
SMILES: CC(C)(C)OC(=O)NS(=O)(=O)[N+]12CCN(CC2)CC1
Tpsa: 75.71
Logp: -0.0981
H Acceptors: 5
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:
C₁₁H₂₂N₃O₄S+
Molecular Weight:
292.37
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)NS(=O)(=O)[N+]12CCN(CC2)CC1
Tpsa:
75.71
Logp:
-0.0981
H Acceptors:
5
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: C₂₀H₂₉N₃O₂
Molecular Weight: 343.46
Synonyms: 1-Piperidinecarboxylic acid, 4-[2-(5-amino-1H-indol-1-yl)ethyl]-, 1,1-dimethylethyl ester
SMILES: CC(C)(C)OC(=O)N1CCC(CCN2C=CC3=CC(N)=CC=C23)CC1
Tpsa: 60.49
Logp: 4.2607
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:
C₂₀H₂₉N₃O₂
Molecular Weight:
343.46
Synonyms:
1-Piperidinecarboxylic acid, 4-[2-(5-amino-1H-indol-1-yl)ethyl]-, 1,1-dimethylethyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(CCN2C=CC3=CC(N)=CC=C23)CC1
Tpsa:
60.49
Logp:
4.2607
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD27924830
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃N
Molecular Weight: 171.24
Synonyms: None
SMILES: CN1C=C(C=C1C)C1=CC=CC=C1
Tpsa: 4.93
Logp: 3.00052
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD27924830
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃N
Molecular Weight:
171.24
Synonyms:
None
SMILES:
CN1C=C(C=C1C)C1=CC=CC=C1
Tpsa:
4.93
Logp:
3.00052
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1