CS-1037931
3-(1-Methyl-1H-1,2,3-triazol-4-yl)-2-(methylsulfonyl)-3-oxopropanenitrile
Manufacturer: ChemScene
CAS Number: 1872250-40-2
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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
C₇H₈N₄O₃S
Molecular Weight
228.23
Synonyms
None
SMILES
N#CC(C(=O)C=1N=NN(C1)C)S(=O)(=O)C
Tpsa
105.71
Logp
-1.06542
H Acceptors
7
H Donors
0
Rotatable Bonds
3
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: C₇H₈N₄O₃S
Molecular Weight: 228.23
Synonyms: None
SMILES: N#CC(C(=O)C=1N=NN(C1)C)S(=O)(=O)C
Tpsa: 105.71
Logp: -1.06542
H Acceptors: 7
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:
C₇H₈N₄O₃S
Molecular Weight:
228.23
Synonyms:
None
SMILES:
N#CC(C(=O)C=1N=NN(C1)C)S(=O)(=O)C
Tpsa:
105.71
Logp:
-1.06542
H Acceptors:
7
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: C₉H₁₆F₂N₂
Molecular Weight: 190.23
Synonyms: None
SMILES: FC(F)(CN)CN1CC=C(C)CC1
Tpsa: 29.26
Logp: 1.2324
H Acceptors: 2
H Donors: 1
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:
C₉H₁₆F₂N₂
Molecular Weight:
190.23
Synonyms:
None
SMILES:
FC(F)(CN)CN1CC=C(C)CC1
Tpsa:
29.26
Logp:
1.2324
H Acceptors:
2
H Donors:
1
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: C₁₂H₉ClFN
Molecular Weight: 221.66
Synonyms: None
SMILES: FC1=CC=CC(Cl)=C1C=2C=CC=CC2N
Tpsa: 26.02
Logp: 3.7283
H Acceptors: 1
H Donors: 1
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:
C₁₂H₉ClFN
Molecular Weight:
221.66
Synonyms:
None
SMILES:
FC1=CC=CC(Cl)=C1C=2C=CC=CC2N
Tpsa:
26.02
Logp:
3.7283
H Acceptors:
1
H Donors:
1
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: C₈H₁₀BrNO₂S
Molecular Weight: 264.14
Synonyms: None
SMILES: O=S(=O)(NC)C=1C=CC=C(C1Br)C
Tpsa: 46.17
Logp: 1.66562
H Acceptors: 2
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:
C₈H₁₀BrNO₂S
Molecular Weight:
264.14
Synonyms:
None
SMILES:
O=S(=O)(NC)C=1C=CC=C(C1Br)C
Tpsa:
46.17
Logp:
1.66562
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2