CS-0608734
Methyl 4-cyano-5-(trifluoromethyl)thiophene-2-carboxylate
Manufacturer: ChemScene
CAS Number: 2168855-19-2
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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
C₈H₄F₃NO₂S
Molecular Weight
235.18
Synonyms
2-Thiophenecarboxylic acid, 4-cyano-5-(trifluoromethyl)-, methyl ester
SMILES
O=C(C1=CC(C#N)=C(C(F)(F)F)S1)OC
Tpsa
50.09
Logp
2.42518
H Acceptors
4
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: C₈H₄F₃NO₂S
Molecular Weight: 235.18
Synonyms: 2-Thiophenecarboxylic acid, 4-cyano-5-(trifluoromethyl)-, methyl ester
SMILES: O=C(C1=CC(C#N)=C(C(F)(F)F)S1)OC
Tpsa: 50.09
Logp: 2.42518
H Acceptors: 4
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:
C₈H₄F₃NO₂S
Molecular Weight:
235.18
Synonyms:
2-Thiophenecarboxylic acid, 4-cyano-5-(trifluoromethyl)-, methyl ester
SMILES:
O=C(C1=CC(C#N)=C(C(F)(F)F)S1)OC
Tpsa:
50.09
Logp:
2.42518
H Acceptors:
4
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: C₆H₅N₃OS
Molecular Weight: 167.19
Synonyms: None
SMILES: NC(N1)=NC2=CSC=C2C1=O
Tpsa: 71.77
Logp: 0.5668
H Acceptors: 4
H Donors: 2
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:
C₆H₅N₃OS
Molecular Weight:
167.19
Synonyms:
None
SMILES:
NC(N1)=NC2=CSC=C2C1=O
Tpsa:
71.77
Logp:
0.5668
H Acceptors:
4
H Donors:
2
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: C₉H₁₈N₂O₂
Molecular Weight: 186.25
Synonyms: Edoxaban Impurity 67
SMILES: O=C([C@@H]1C[C@@H](N)[C@H](O)CC1)N(C)C
Tpsa: 66.56
Logp: -0.4371
H Acceptors: 3
H Donors: 2
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:
C₉H₁₈N₂O₂
Molecular Weight:
186.25
Synonyms:
Edoxaban Impurity 67
SMILES:
O=C([C@@H]1C[C@@H](N)[C@H](O)CC1)N(C)C
Tpsa:
66.56
Logp:
-0.4371
H Acceptors:
3
H Donors:
2
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: C₁₀H₁₆Cl₂N₂O₂
Molecular Weight: 267.15
Synonyms: 2-amino-3-(2-(aminomethyl)phenyl)propanoic acid hydrochloride
SMILES: O=C(O)C(N)CC1=CC=CC=C1CN.[H]Cl.[H]Cl
Tpsa: 89.34
Logp: 0.9433
H Acceptors: 3
H Donors: 3
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:
C₁₀H₁₆Cl₂N₂O₂
Molecular Weight:
267.15
Synonyms:
2-amino-3-(2-(aminomethyl)phenyl)propanoic acid hydrochloride
SMILES:
O=C(O)C(N)CC1=CC=CC=C1CN.[H]Cl.[H]Cl
Tpsa:
89.34
Logp:
0.9433
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
4