CS-0530818
2-(4-(Aminomethyl)-2-fluorophenyl)isothiazolidine 1,1-dioxide
Manufacturer: ChemScene
CAS Number: 1538752-11-2
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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
C₁₀H₁₃FN₂O₂S
Molecular Weight
244.29
Synonyms
None
SMILES
O=S1(N(CCC1)C2=CC=C(CN)C=C2F)=O
Tpsa
63.4
Logp
0.8243
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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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: C₁₀H₁₃FN₂O₂S
Molecular Weight: 244.29
Synonyms: None
SMILES: O=S1(N(CCC1)C2=CC=C(CN)C=C2F)=O
Tpsa: 63.4
Logp: 0.8243
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:
C₁₀H₁₃FN₂O₂S
Molecular Weight:
244.29
Synonyms:
None
SMILES:
O=S1(N(CCC1)C2=CC=C(CN)C=C2F)=O
Tpsa:
63.4
Logp:
0.8243
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: C₂₂H₂₃NO₄
Molecular Weight: 365.42
Synonyms: 2-{1-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclobutyl}acetic acid
SMILES: O=C(O)CC1(CNC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)CCC1
Tpsa: 75.63
Logp: 4.1701
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₃NO₄
Molecular Weight:
365.42
Synonyms:
2-{1-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclobutyl}acetic acid
SMILES:
O=C(O)CC1(CNC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O)CCC1
Tpsa:
75.63
Logp:
4.1701
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅NO₃
Molecular Weight: 163.13
Synonyms: 6-nitro-benzofuran
SMILES: O=[N+](C1=CC=C2C=COC2=C1)[O-]
Tpsa: 56.28
Logp: 2.341
H Acceptors: 3
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:
C₈H₅NO₃
Molecular Weight:
163.13
Synonyms:
6-nitro-benzofuran
SMILES:
O=[N+](C1=CC=C2C=COC2=C1)[O-]
Tpsa:
56.28
Logp:
2.341
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₅N₃O₄
Molecular Weight: 241.24
Synonyms: 1-Methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylic acid
SMILES: O=C(C1=NN(C)C=C1NC(OC(C)(C)C)=O)O
Tpsa: 93.45
Logp: 1.4653
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₅N₃O₄
Molecular Weight:
241.24
Synonyms:
1-Methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-3-carboxylic acid
SMILES:
O=C(C1=NN(C)C=C1NC(OC(C)(C)C)=O)O
Tpsa:
93.45
Logp:
1.4653
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2