CS-0497993
1-(Trifluoromethyl)-6-thia-3-azabicyclo[3.2.0]heptane 6,6-dioxide
Manufacturer: ChemScene
CAS Number: 2416231-43-9
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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
C₆H₈F₃NO₂S
Molecular Weight
215.19
Synonyms
None
SMILES
FC(C12CNCC1S(C2)(=O)=O)(F)F
Tpsa
46.17
Logp
-0.0647
H Acceptors
3
H Donors
1
Rotatable Bonds
0
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
1759
Class
8
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-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: C₆H₈F₃NO₂S
Molecular Weight: 215.19
Synonyms: None
SMILES: FC(C12CNCC1S(C2)(=O)=O)(F)F
Tpsa: 46.17
Logp: -0.0647
H Acceptors: 3
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:
C₆H₈F₃NO₂S
Molecular Weight:
215.19
Synonyms:
None
SMILES:
FC(C12CNCC1S(C2)(=O)=O)(F)F
Tpsa:
46.17
Logp:
-0.0647
H Acceptors:
3
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: C₇H₇BO₅
Molecular Weight: 181.94
Synonyms: None
SMILES: O=C(O)C1=CC=C(B(O)O)C=C1O
Tpsa: 97.99
Logp: -1.2298
H Acceptors: 4
H Donors: 4
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:
C₇H₇BO₅
Molecular Weight:
181.94
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(B(O)O)C=C1O
Tpsa:
97.99
Logp:
-1.2298
H Acceptors:
4
H Donors:
4
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: C₁₅H₁₉NO₂
Molecular Weight: 245.32
Synonyms: rel-Methyl (1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
SMILES: O=C([C@@]12CN(CC3=CC=CC=C3)C[C@]1([H])CC2)OC
Tpsa: 29.54
Logp: 2.0716
H Acceptors: 3
H Donors: 0
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:
C₁₅H₁₉NO₂
Molecular Weight:
245.32
Synonyms:
rel-Methyl (1R,5R)-3-benzyl-3-azabicyclo[3.2.0]heptane-1-carboxylate
SMILES:
O=C([C@@]12CN(CC3=CC=CC=C3)C[C@]1([H])CC2)OC
Tpsa:
29.54
Logp:
2.0716
H Acceptors:
3
H Donors:
0
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: C₁₈H₁₈N₆O₉S₃
Molecular Weight: 558.57
Synonyms: None
SMILES: O=C([C@@]1([H])NC([C@]([H])(O)C2=CC=CC=C2)=O)N3[C@]1([H])S(CC(CSC4=NN=NN4CS(O)(=O)=O)=C3C(O)=O)=O
Tpsa: 221.98
Logp: -1.9018
H Acceptors: 12
H Donors: 4
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:
C₁₈H₁₈N₆O₉S₃
Molecular Weight:
558.57
Synonyms:
None
SMILES:
O=C([C@@]1([H])NC([C@]([H])(O)C2=CC=CC=C2)=O)N3[C@]1([H])S(CC(CSC4=NN=NN4CS(O)(=O)=O)=C3C(O)=O)=O
Tpsa:
221.98
Logp:
-1.9018
H Acceptors:
12
H Donors:
4
Rotatable Bonds:
9