CS-0898017
3-((tert-Butoxycarbonyl)amino)-6-(methylthio)-5-(trifluoromethyl)picolinic acid
Manufacturer: ChemScene
CAS Number: 2967686-96-8
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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
C₁₃H₁₅F₃N₂O₄S
Molecular Weight
352.33
Synonyms
None
SMILES
O=C(C1=NC(SC)=C(C(F)(F)F)C=C1NC(OC(C)(C)C)=O)O
Tpsa
88.52
Logp
3.8675
H Acceptors
5
H Donors
2
Rotatable Bonds
3
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: C₁₃H₁₅F₃N₂O₄S
Molecular Weight: 352.33
Synonyms: None
SMILES: O=C(C1=NC(SC)=C(C(F)(F)F)C=C1NC(OC(C)(C)C)=O)O
Tpsa: 88.52
Logp: 3.8675
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:
C₁₃H₁₅F₃N₂O₄S
Molecular Weight:
352.33
Synonyms:
None
SMILES:
O=C(C1=NC(SC)=C(C(F)(F)F)C=C1NC(OC(C)(C)C)=O)O
Tpsa:
88.52
Logp:
3.8675
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: C₇H₇BrN₂O₂
Molecular Weight: 231.05
Synonyms: None
SMILES: BrC(C(C(O)=O)=C1)=NN1C2CC2
Tpsa: 55.12
Logp: 1.6787
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:
C₇H₇BrN₂O₂
Molecular Weight:
231.05
Synonyms:
None
SMILES:
BrC(C(C(O)=O)=C1)=NN1C2CC2
Tpsa:
55.12
Logp:
1.6787
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: C₈H₉BrN₂O₂
Molecular Weight: 245.07
Synonyms: None
SMILES: BrC(C(C(OC)=O)=C1)=NN1C2CC2
Tpsa: 44.12
Logp: 1.7671
H Acceptors: 4
H Donors: 0
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:
C₈H₉BrN₂O₂
Molecular Weight:
245.07
Synonyms:
None
SMILES:
BrC(C(C(OC)=O)=C1)=NN1C2CC2
Tpsa:
44.12
Logp:
1.7671
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₉N₅O₄S₂
Molecular Weight: 527.66
Synonyms: None
SMILES: CC1=C(C)SC2=C1C(C3=CC=C(NS(C=C)(=O)=O)C=C3)=N[C@@H](CC(OC(C)(C)C)=O)C4=NN=C(C)N42
Tpsa: 115.54
Logp: 4.76316
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₉N₅O₄S₂
Molecular Weight:
527.66
Synonyms:
None
SMILES:
CC1=C(C)SC2=C1C(C3=CC=C(NS(C=C)(=O)=O)C=C3)=N[C@@H](CC(OC(C)(C)C)=O)C4=NN=C(C)N42
Tpsa:
115.54
Logp:
4.76316
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
6