CS-0574008
2-((3-(Benzylsulfonyl)-5-nitrophenyl)thio)acetic acid
Manufacturer: ChemScene
CAS Number: 883291-52-9
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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
C₁₅H₁₃NO₆S₂
Molecular Weight
367.40
Synonyms
{[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid
SMILES
C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2)SCC(=O)O)[N+](=O)[O-]
Tpsa
114.58
Logp
2.7454
H Acceptors
6
H Donors
1
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 883291-52-9 | {[3-(benzylsulfonyl)-5-nitrophenyl]thio}acetic acid | A2B Chem | -- |
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: C₁₅H₁₃NO₆S₂
Molecular Weight: 367.40
Synonyms: {[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid
SMILES: C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2)SCC(=O)O)[N+](=O)[O-]
Tpsa: 114.58
Logp: 2.7454
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:
C₁₅H₁₃NO₆S₂
Molecular Weight:
367.40
Synonyms:
{[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid
SMILES:
C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2)SCC(=O)O)[N+](=O)[O-]
Tpsa:
114.58
Logp:
2.7454
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: C₈H₅F₃N₄S
Molecular Weight: 246.21
Synonyms: None
SMILES: FC(F)(F)C1=NC(=NC(=C1)C2=NC=CS2)N
Tpsa: 64.69
Logp: 2.2011
H Acceptors: 5
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:
C₈H₅F₃N₄S
Molecular Weight:
246.21
Synonyms:
None
SMILES:
FC(F)(F)C1=NC(=NC(=C1)C2=NC=CS2)N
Tpsa:
64.69
Logp:
2.2011
H Acceptors:
5
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: C₇H₁₂N₂O₃
Molecular Weight: 172.18
Synonyms: None
SMILES: CC1(C(=O)NC(=O)N1CCO)C
Tpsa: 69.64
Logp: -0.6909
H Acceptors: 3
H Donors: 2
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:
C₇H₁₂N₂O₃
Molecular Weight:
172.18
Synonyms:
None
SMILES:
CC1(C(=O)NC(=O)N1CCO)C
Tpsa:
69.64
Logp:
-0.6909
H Acceptors:
3
H Donors:
2
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: C₁₆H₁₄BrFO₄
Molecular Weight: 369.18
Synonyms: None
SMILES: CC(=O)OC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)OC)Br)F
Tpsa: 44.76
Logp: 4.1011
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₄BrFO₄
Molecular Weight:
369.18
Synonyms:
None
SMILES:
CC(=O)OC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)OC)Br)F
Tpsa:
44.76
Logp:
4.1011
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5