CS-0645957
1,2,3-Oxathiazolidine-3-carboxylic acid, 4-(4-bromo-2-pyridinyl)-, 1,1-dimethylethyl ester, 2,2-dioxide
Manufacturer: ChemScene
CAS Number: 2768546-08-1
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Purity
98%
MDL No
None
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₅BrN₂O₅S
Molecular Weight
379.23
Synonyms
None
SMILES
O=C(N1S(OCC1C2=NC=CC(Br)=C2)(=O)=O)OC(C)(C)C
Tpsa
85.8
Logp
2.3973
H Acceptors
6
H Donors
0
Rotatable Bonds
1
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: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅BrN₂O₅S
Molecular Weight: 379.23
Synonyms: None
SMILES: O=C(N1S(OCC1C2=NC=CC(Br)=C2)(=O)=O)OC(C)(C)C
Tpsa: 85.8
Logp: 2.3973
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅BrN₂O₅S
Molecular Weight:
379.23
Synonyms:
None
SMILES:
O=C(N1S(OCC1C2=NC=CC(Br)=C2)(=O)=O)OC(C)(C)C
Tpsa:
85.8
Logp:
2.3973
H Acceptors:
6
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: C₈H₁₂BrClN₂
Molecular Weight: 251.55
Synonyms: None
SMILES: CC[C@H](C1=CC(Br)=CC=N1)N.Cl
Tpsa: 38.91
Logp: 2.6757
H Acceptors: 2
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:
C₈H₁₂BrClN₂
Molecular Weight:
251.55
Synonyms:
None
SMILES:
CC[C@H](C1=CC(Br)=CC=N1)N.Cl
Tpsa:
38.91
Logp:
2.6757
H Acceptors:
2
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: C₁₈H₂₃BrN₂O₄
Molecular Weight: 411.29
Synonyms: None
SMILES: O=C(OC(C)(C)C)CN(C1=CC(Br)=CC=C1C#N)C(OC(C)(C)C)=O
Tpsa: 79.63
Logp: 4.40398
H Acceptors: 5
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:
C₁₈H₂₃BrN₂O₄
Molecular Weight:
411.29
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)CN(C1=CC(Br)=CC=C1C#N)C(OC(C)(C)C)=O
Tpsa:
79.63
Logp:
4.40398
H Acceptors:
5
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: C₁₅H₂₁ClN₂O₂
Molecular Weight: 296.79
Synonyms: None
SMILES: O=C(N1CC2=C(N=C(Cl)C=C2)CC1(C)C)OC(C)(C)C
Tpsa: 42.43
Logp: 3.8068
H Acceptors: 3
H Donors: 0
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:
C₁₅H₂₁ClN₂O₂
Molecular Weight:
296.79
Synonyms:
None
SMILES:
O=C(N1CC2=C(N=C(Cl)C=C2)CC1(C)C)OC(C)(C)C
Tpsa:
42.43
Logp:
3.8068
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0