CS-0137951
1-Methyl-2-phenyl-3-((trifluoromethyl)sulfonyl)-1H-benzo[d]imidazol-3-ium trifluoromethanesulfonate
Manufacturer: ChemScene
CAS Number: 2459375-76-7
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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
C₁₆H₁₂F₆N₂O₅S₂
Molecular Weight
490.40
Synonyms
None
SMILES
O=S([N+]1=C(C2=CC=CC=C2)N(C)C3=CC=CC=C13)(C(F)(F)F)=O.O=S(C(F)(F)F)([O-])=O
Tpsa
100.15
Logp
2.8819
H Acceptors
6
H Donors
0
Rotatable Bonds
2
Related Products
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: C₁₆H₁₂F₆N₂O₅S₂
Molecular Weight: 490.40
Synonyms: None
SMILES: O=S([N+]1=C(C2=CC=CC=C2)N(C)C3=CC=CC=C13)(C(F)(F)F)=O.O=S(C(F)(F)F)([O-])=O
Tpsa: 100.15
Logp: 2.8819
H Acceptors: 6
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:
C₁₆H₁₂F₆N₂O₅S₂
Molecular Weight:
490.40
Synonyms:
None
SMILES:
O=S([N+]1=C(C2=CC=CC=C2)N(C)C3=CC=CC=C13)(C(F)(F)F)=O.O=S(C(F)(F)F)([O-])=O
Tpsa:
100.15
Logp:
2.8819
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
2
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₁NO₃
Molecular Weight: 263.33
Synonyms: Tert-butyl 8-hydroxy-4,5-dihydro-1H-benzo[C]azepine-2(3H)-carboxylate
SMILES: O=C(N1CC2=CC(O)=CC=C2CCC1)OC(C)(C)C
Tpsa: 49.77
Logp: 3.0755
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₁NO₃
Molecular Weight:
263.33
Synonyms:
Tert-butyl 8-hydroxy-4,5-dihydro-1H-benzo[C]azepine-2(3H)-carboxylate
SMILES:
O=C(N1CC2=CC(O)=CC=C2CCC1)OC(C)(C)C
Tpsa:
49.77
Logp:
3.0755
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD00063046
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₅NO₃
Molecular Weight: 209.24
Synonyms: Tyrosineethylester
SMILES: N[C@@H](CC1=CC=C(O)C=C1)C(OCC)=O
Tpsa: 72.55
Logp: 0.8251
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
97%
MDL No:
MFCD00063046
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₅NO₃
Molecular Weight:
209.24
Synonyms:
Tyrosineethylester
SMILES:
N[C@@H](CC1=CC=C(O)C=C1)C(OCC)=O
Tpsa:
72.55
Logp:
0.8251
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₆BNO₂
Molecular Weight: 289.14
Synonyms: None
SMILES: OB(O)C(C=CC=C1)=C1N(C2=CC=CC=C2)C3=CC=CC=C3
Tpsa: 43.7
Logp: 2.8362
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₆BNO₂
Molecular Weight:
289.14
Synonyms:
None
SMILES:
OB(O)C(C=CC=C1)=C1N(C2=CC=CC=C2)C3=CC=CC=C3
Tpsa:
43.7
Logp:
2.8362
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4