CS-1088017
Methyl 8-bromo-5-oxo-2,3,4,5-tetrahydrobenzo[b]thiepine-4-carboxylate 1,1-dioxide
Manufacturer: ChemScene
CAS Number: 2940960-13-2
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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
C₁₂H₁₁BrO₅S
Molecular Weight
347.18
Synonyms
None
SMILES
O=C(OC)C1C(=O)C2=CC=C(Br)C=C2S(=O)(=O)CC1
Tpsa
77.51
Logp
1.5984
H Acceptors
5
H Donors
0
Rotatable Bonds
1
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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: C₁₂H₁₁BrO₅S
Molecular Weight: 347.18
Synonyms: None
SMILES: O=C(OC)C1C(=O)C2=CC=C(Br)C=C2S(=O)(=O)CC1
Tpsa: 77.51
Logp: 1.5984
H Acceptors: 5
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:
C₁₂H₁₁BrO₅S
Molecular Weight:
347.18
Synonyms:
None
SMILES:
O=C(OC)C1C(=O)C2=CC=C(Br)C=C2S(=O)(=O)CC1
Tpsa:
77.51
Logp:
1.5984
H Acceptors:
5
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: C₁₃H₁₂FNO₂
Molecular Weight: 233.24
Synonyms: None
SMILES: O=C(OC)C=1C=C(F)C=2N=C(C)C3(C2C1)CC3
Tpsa: 38.66
Logp: 2.7499
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:
C₁₃H₁₂FNO₂
Molecular Weight:
233.24
Synonyms:
None
SMILES:
O=C(OC)C=1C=C(F)C=2N=C(C)C3(C2C1)CC3
Tpsa:
38.66
Logp:
2.7499
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: C₁₂H₂₂N₂O₃
Molecular Weight: 242.31
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1CCC(O)C2(CNC2)C1
Tpsa: 61.8
Logp: 0.5777
H Acceptors: 4
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:
C₁₂H₂₂N₂O₃
Molecular Weight:
242.31
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1CCC(O)C2(CNC2)C1
Tpsa:
61.8
Logp:
0.5777
H Acceptors:
4
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: C₆H₆N₄
Molecular Weight: 134.14
Synonyms: None
SMILES: N1=CC=C2C=CC(=NN12)N
Tpsa: 56.21
Logp: 0.3115
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:
C₆H₆N₄
Molecular Weight:
134.14
Synonyms:
None
SMILES:
N1=CC=C2C=CC(=NN12)N
Tpsa:
56.21
Logp:
0.3115
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0