CS-0548988
2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-(thiophen-2-yl)acetamide
Manufacturer: ChemScene
CAS Number: 861211-80-5
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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
C₁₂H₈ClF₃N₂OS
Molecular Weight
320.72
Synonyms
None
SMILES
C1=CSC(=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N
Tpsa
55.98
Logp
3.4325
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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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: C₁₂H₈ClF₃N₂OS
Molecular Weight: 320.72
Synonyms: None
SMILES: C1=CSC(=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N
Tpsa: 55.98
Logp: 3.4325
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:
C₁₂H₈ClF₃N₂OS
Molecular Weight:
320.72
Synonyms:
None
SMILES:
C1=CSC(=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)N
Tpsa:
55.98
Logp:
3.4325
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: C₂₂H₂₇NO₄
Molecular Weight: 369.45
Synonyms: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohex-2-en-1-one
SMILES: CC1(CC(=C(C(=O)C1)C(C2=CN=CC=C2)C3=C(CC(CC3=O)(C)C)O)O)C
Tpsa: 87.49
Logp: 4.5676
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:
C₂₂H₂₇NO₄
Molecular Weight:
369.45
Synonyms:
3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohex-2-en-1-one
SMILES:
CC1(CC(=C(C(=O)C1)C(C2=CN=CC=C2)C3=C(CC(CC3=O)(C)C)O)O)C
Tpsa:
87.49
Logp:
4.5676
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD00467474
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₄N₄O₁₂S₂
Molecular Weight: 590.50
Synonyms: Benzoic acid, 3,3'-dithiobis[6-nitro-, 1,1'-bis(2,5-dioxo-1-pyrrolidinyl) ester
SMILES: C1CC(=O)N(C1=O)OC(=O)C2=C(C=CC(=C2)SSC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)ON4C(=O)CCC4=O)[N+](=O)[O-]
Tpsa: 213.64
Logp: 2.744
H Acceptors: 14
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
MFCD00467474
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₄N₄O₁₂S₂
Molecular Weight:
590.50
Synonyms:
Benzoic acid, 3,3'-dithiobis[6-nitro-, 1,1'-bis(2,5-dioxo-1-pyrrolidinyl) ester
SMILES:
C1CC(=O)N(C1=O)OC(=O)C2=C(C=CC(=C2)SSC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)ON4C(=O)CCC4=O)[N+](=O)[O-]
Tpsa:
213.64
Logp:
2.744
H Acceptors:
14
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁N₃O₂S
Molecular Weight: 225.27
Synonyms: 2-Hydroxy-3-methoxybenzaldehyde thiosemicarbazone
SMILES: S=C(N)NN=CC=1C=CC=C(OC)C1O
Tpsa: 79.87
Logp: 0.5679
H Acceptors: 4
H Donors: 3
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:
C₉H₁₁N₃O₂S
Molecular Weight:
225.27
Synonyms:
2-Hydroxy-3-methoxybenzaldehyde thiosemicarbazone
SMILES:
S=C(N)NN=CC=1C=CC=C(OC)C1O
Tpsa:
79.87
Logp:
0.5679
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
3