CS-0783707
2-((tert-Butoxycarbonyl)amino)-3-cyano-6,7-dihydrobenzo[b]thiophen-4-yl trifluoromethanesulfonate
Manufacturer: ChemScene
CAS Number: 2891993-44-3
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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
C₁₅H₁₅F₃N₂O₅S₂
Molecular Weight
424.42
Synonyms
None
SMILES
N#CC1=C(NC(OC(C)(C)C)=O)SC2=C1C(OS(=O)(C(F)(F)F)=O)=CCC2
Tpsa
105.49
Logp
4.12008
H Acceptors
7
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: C₁₅H₁₅F₃N₂O₅S₂
Molecular Weight: 424.42
Synonyms: None
SMILES: N#CC1=C(NC(OC(C)(C)C)=O)SC2=C1C(OS(=O)(C(F)(F)F)=O)=CCC2
Tpsa: 105.49
Logp: 4.12008
H Acceptors: 7
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:
C₁₅H₁₅F₃N₂O₅S₂
Molecular Weight:
424.42
Synonyms:
None
SMILES:
N#CC1=C(NC(OC(C)(C)C)=O)SC2=C1C(OS(=O)(C(F)(F)F)=O)=CCC2
Tpsa:
105.49
Logp:
4.12008
H Acceptors:
7
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: C₂₄H₃₃BN₄O₆
Molecular Weight: 484.35
Synonyms: None
SMILES: O=C(OC(C)(C)C)N(C1=NN2C=CC=C(B3OC(C)(C)C(C)(C)O3)C2=C1C#N)C(OC(C)(C)C)=O
Tpsa: 115.39
Logp: 4.18178
H Acceptors: 9
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:
C₂₄H₃₃BN₄O₆
Molecular Weight:
484.35
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N(C1=NN2C=CC=C(B3OC(C)(C)C(C)(C)O3)C2=C1C#N)C(OC(C)(C)C)=O
Tpsa:
115.39
Logp:
4.18178
H Acceptors:
9
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: C₉H₈O₄
Molecular Weight: 180.16
Synonyms: None
SMILES: O=C1OC([C@]2([H])[C@](C3O)([H])C=C[C@]3([H])[C@@]21[H])=O
Tpsa: 63.6
Logp: -0.5211
H Acceptors: 4
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:
C₉H₈O₄
Molecular Weight:
180.16
Synonyms:
None
SMILES:
O=C1OC([C@]2([H])[C@](C3O)([H])C=C[C@]3([H])[C@@]21[H])=O
Tpsa:
63.6
Logp:
-0.5211
H Acceptors:
4
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: C₉H₉BrFNO₂
Molecular Weight: 262.08
Synonyms: None
SMILES: O=C(OCC)C1=CC=C(Br)C(F)=C1N
Tpsa: 52.32
Logp: 2.3471
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:
C₉H₉BrFNO₂
Molecular Weight:
262.08
Synonyms:
None
SMILES:
O=C(OCC)C1=CC=C(Br)C(F)=C1N
Tpsa:
52.32
Logp:
2.3471
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2