CS-0887656
4-(Isopropylsulfonyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 583837-95-0
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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
C₁₀H₁₁NO₂S
Molecular Weight
209.26
Synonyms
None
SMILES
N#CC1=CC=C(S(=O)(C(C)C)=O)C=C1
Tpsa
57.93
Logp
1.74038
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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: C₁₀H₁₁NO₂S
Molecular Weight: 209.26
Synonyms: None
SMILES: N#CC1=CC=C(S(=O)(C(C)C)=O)C=C1
Tpsa: 57.93
Logp: 1.74038
H Acceptors: 3
H Donors: 0
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:
C₁₀H₁₁NO₂S
Molecular Weight:
209.26
Synonyms:
None
SMILES:
N#CC1=CC=C(S(=O)(C(C)C)=O)C=C1
Tpsa:
57.93
Logp:
1.74038
H Acceptors:
3
H Donors:
0
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: C₈H₆F₂N₂
Molecular Weight: 168.14
Synonyms: None
SMILES: N#CC1=NC=CC(C(F)(F)C)=C1
Tpsa: 36.68
Logp: 2.06498
H Acceptors: 2
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:
C₈H₆F₂N₂
Molecular Weight:
168.14
Synonyms:
None
SMILES:
N#CC1=NC=CC(C(F)(F)C)=C1
Tpsa:
36.68
Logp:
2.06498
H Acceptors:
2
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: C₃H₄Cl₃NO₂
Molecular Weight: 192.43
Synonyms: None
SMILES: O=C(N)OCC(Cl)(Cl)Cl
Tpsa: 52.32
Logp: 1.4519
H Acceptors: 2
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:
C₃H₄Cl₃NO₂
Molecular Weight:
192.43
Synonyms:
None
SMILES:
O=C(N)OCC(Cl)(Cl)Cl
Tpsa:
52.32
Logp:
1.4519
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₈Cl₄N₄O₄
Molecular Weight: 434.19
Synonyms: None
SMILES: O=C(CN1CCNCCNCCN(CC1)CC(O)=O)O.Cl.Cl.Cl.Cl
Tpsa: 105.14
Logp: -0.3604
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₈Cl₄N₄O₄
Molecular Weight:
434.19
Synonyms:
None
SMILES:
O=C(CN1CCNCCNCCN(CC1)CC(O)=O)O.Cl.Cl.Cl.Cl
Tpsa:
105.14
Logp:
-0.3604
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
4