CS-0914739
Celecoxib Impurity 16
Manufacturer: ChemScene
CAS Number: 35282-78-1
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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
C₆H₆ClN₃O₂S
Molecular Weight
219.65
Synonyms
None
SMILES
[Cl-].N#[N+]C1=CC=C(C=C1)S(=O)(=O)N
Tpsa
88.31
Logp
-2.17742
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₆H₆ClN₃O₂S
Molecular Weight: 219.65
Synonyms: None
SMILES: [Cl-].N#[N+]C1=CC=C(C=C1)S(=O)(=O)N
Tpsa: 88.31
Logp: -2.17742
H Acceptors: 3
H Donors: 1
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:
C₆H₆ClN₃O₂S
Molecular Weight:
219.65
Synonyms:
None
SMILES:
[Cl-].N#[N+]C1=CC=C(C=C1)S(=O)(=O)N
Tpsa:
88.31
Logp:
-2.17742
H Acceptors:
3
H Donors:
1
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: C₂₄H₂₄N₂O₅S
Molecular Weight: 452.52
Synonyms: None
SMILES: C(OCC1=CC=C(OC)C=C1)(=O)C=2N3[C@@]([C@H](NC(CC4=CC=CC=C4)=O)C3=O)(SCC2C)[H]
Tpsa: 84.94
Logp: 2.655
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₄N₂O₅S
Molecular Weight:
452.52
Synonyms:
None
SMILES:
C(OCC1=CC=C(OC)C=C1)(=O)C=2N3[C@@]([C@H](NC(CC4=CC=CC=C4)=O)C3=O)(SCC2C)[H]
Tpsa:
84.94
Logp:
2.655
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇N₃O₆S
Molecular Weight: 355.37
Synonyms: None
SMILES: O=C1N2[C@@]([C@@H]1NC(CCC[C@H](C(O)=O)N)=O)(SCC3=C2C(=O)OC3)[H]
Tpsa: 139.03
Logp: -1.2206
H Acceptors: 7
H Donors: 3
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:
C₁₄H₁₇N₃O₆S
Molecular Weight:
355.37
Synonyms:
None
SMILES:
O=C1N2[C@@]([C@@H]1NC(CCC[C@H](C(O)=O)N)=O)(SCC3=C2C(=O)OC3)[H]
Tpsa:
139.03
Logp:
-1.2206
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
6
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁NO₃
Molecular Weight: 205.21
Synonyms: None
SMILES: O=C1OC(=NC=2C=CC(=CC12)C)OCC
Tpsa: 52.33
Logp: 1.89512
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₁NO₃
Molecular Weight:
205.21
Synonyms:
None
SMILES:
O=C1OC(=NC=2C=CC(=CC12)C)OCC
Tpsa:
52.33
Logp:
1.89512
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2