CS-0069992
7-Chloro-5-fluoro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide
Manufacturer: ChemScene
CAS Number: 2100839-78-7
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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
C₇H₄ClFN₂O₃S
Molecular Weight
250.63
Synonyms
None
SMILES
O=S1(NC(NC2=C(F)C=C(Cl)C=C21)=O)=O
Tpsa
75.27
Logp
1.3029
H Acceptors
3
H Donors
2
Rotatable Bonds
0
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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: C₇H₄ClFN₂O₃S
Molecular Weight: 250.63
Synonyms: None
SMILES: O=S1(NC(NC2=C(F)C=C(Cl)C=C21)=O)=O
Tpsa: 75.27
Logp: 1.3029
H Acceptors: 3
H Donors: 2
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:
C₇H₄ClFN₂O₃S
Molecular Weight:
250.63
Synonyms:
None
SMILES:
O=S1(NC(NC2=C(F)C=C(Cl)C=C21)=O)=O
Tpsa:
75.27
Logp:
1.3029
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD00042781
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂N₄O₃
Molecular Weight: 224.22
Synonyms: 1,3,7,9-Tetramethyluric acid; Theacrine
SMILES: O=C1C2=C(N(C)C(N2C)=O)N(C)C(N1C)=O
Tpsa: 70.93
Logp: -1.7256
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD00042781
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂N₄O₃
Molecular Weight:
224.22
Synonyms:
1,3,7,9-Tetramethyluric acid; Theacrine
SMILES:
O=C1C2=C(N(C)C(N2C)=O)N(C)C(N1C)=O
Tpsa:
70.93
Logp:
-1.7256
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₅N₃O₄
Molecular Weight: 337.33
Synonyms: None
SMILES: O=[N+]([O-])C1=CC(C2NC3=C(C4C2CC=C4)C=C(C=C3)[N+]([O-])=O)=CC=C1
Tpsa: 98.31
Logp: 4.3295
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₅N₃O₄
Molecular Weight:
337.33
Synonyms:
None
SMILES:
O=[N+]([O-])C1=CC(C2NC3=C(C4C2CC=C4)C=C(C=C3)[N+]([O-])=O)=CC=C1
Tpsa:
98.31
Logp:
4.3295
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₈F₃N₃O₄S
Molecular Weight: 477.46
Synonyms: GW843682
SMILES: O=C(C1=C(OCC2=CC=CC=C2C(F)(F)F)C=C(N3C4=CC(OC)=C(OC)C=C4N=C3)S1)N
Tpsa: 88.6
Logp: 4.8009
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₈F₃N₃O₄S
Molecular Weight:
477.46
Synonyms:
GW843682
SMILES:
O=C(C1=C(OCC2=CC=CC=C2C(F)(F)F)C=C(N3C4=CC(OC)=C(OC)C=C4N=C3)S1)N
Tpsa:
88.6
Logp:
4.8009
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
7