CS-1158269
4-Methyl-3-(methylsulfonyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 1161921-91-0
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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
C₉H₉NO₂S
Molecular Weight
195.24
Synonyms
None
SMILES
N#CC1=CC=C(C(=C1)S(=O)(=O)C)C
Tpsa
57.93
Logp
1.2702
H Acceptors
3
H Donors
0
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1161921-91-0 | | 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: C₉H₉NO₂S
Molecular Weight: 195.24
Synonyms: None
SMILES: N#CC1=CC=C(C(=C1)S(=O)(=O)C)C
Tpsa: 57.93
Logp: 1.2702
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:
C₉H₉NO₂S
Molecular Weight:
195.24
Synonyms:
None
SMILES:
N#CC1=CC=C(C(=C1)S(=O)(=O)C)C
Tpsa:
57.93
Logp:
1.2702
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃NO₂
Molecular Weight: 215.25
Synonyms: None
SMILES: N([C@H](C(O)=O)C)C=1C2=C(C=CC1)C=CC=C2
Tpsa: 49.33
Logp: 2.7248
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃NO₂
Molecular Weight:
215.25
Synonyms:
None
SMILES:
N([C@H](C(O)=O)C)C=1C2=C(C=CC1)C=CC=C2
Tpsa:
49.33
Logp:
2.7248
H Acceptors:
2
H Donors:
2
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: C₆H₁₁N₃O₂
Molecular Weight: 157.17
Synonyms: None
SMILES: C(O)(=O)[C@@H]1N(C(=N)N)CCC1
Tpsa: 90.41
Logp: -0.57113
H Acceptors: 2
H Donors: 3
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:
C₆H₁₁N₃O₂
Molecular Weight:
157.17
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1N(C(=N)N)CCC1
Tpsa:
90.41
Logp:
-0.57113
H Acceptors:
2
H Donors:
3
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈N₄S₂
Molecular Weight: 188.27
Synonyms: None
SMILES: N=C(SCC=1N=C(SC1)N)N
Tpsa: 88.78
Logp: 0.85197
H Acceptors: 5
H Donors: 3
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:
C₅H₈N₄S₂
Molecular Weight:
188.27
Synonyms:
None
SMILES:
N=C(SCC=1N=C(SC1)N)N
Tpsa:
88.78
Logp:
0.85197
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
2