CS-1023837
3-(1-Methyl-1H-pyrazol-3-yl)-2-(methylsulfonyl)-3-oxopropanenitrile
Manufacturer: ChemScene
CAS Number: 1690850-47-5
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₉N₃O₃S
Molecular Weight
227.24
Synonyms
None
SMILES
N#CC(C(=O)C1=NN(C=C1)C)S(=O)(=O)C
Tpsa
92.82
Logp
-0.46042
H Acceptors
6
H Donors
0
Rotatable Bonds
3
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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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉N₃O₃S
Molecular Weight: 227.24
Synonyms: None
SMILES: N#CC(C(=O)C1=NN(C=C1)C)S(=O)(=O)C
Tpsa: 92.82
Logp: -0.46042
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉N₃O₃S
Molecular Weight:
227.24
Synonyms:
None
SMILES:
N#CC(C(=O)C1=NN(C=C1)C)S(=O)(=O)C
Tpsa:
92.82
Logp:
-0.46042
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₁BrN₂O
Molecular Weight: 231.09
Synonyms: None
SMILES: BrC1=CN=CC(N)=C1OC(C)C
Tpsa: 48.14
Logp: 2.2135
H Acceptors: 3
H Donors: 1
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:
C₈H₁₁BrN₂O
Molecular Weight:
231.09
Synonyms:
None
SMILES:
BrC1=CN=CC(N)=C1OC(C)C
Tpsa:
48.14
Logp:
2.2135
H Acceptors:
3
H Donors:
1
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: C₇H₁₆N₂O₂S
Molecular Weight: 192.28
Synonyms: None
SMILES: O=S(=O)(NCC1CCC(N)C1)C
Tpsa: 72.19
Logp: -0.337
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₆N₂O₂S
Molecular Weight:
192.28
Synonyms:
None
SMILES:
O=S(=O)(NCC1CCC(N)C1)C
Tpsa:
72.19
Logp:
-0.337
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈N₂O₂
Molecular Weight: 164.16
Synonyms: None
SMILES: O=C(C#CC1=CN=CN1C)OC
Tpsa: 44.12
Logp: -0.0554
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈N₂O₂
Molecular Weight:
164.16
Synonyms:
None
SMILES:
O=C(C#CC1=CN=CN1C)OC
Tpsa:
44.12
Logp:
-0.0554
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
0