CS-0909186
1-(Methylsulfonyl)-1H-pyrazole-4-carbonitrile
Manufacturer: ChemScene
CAS Number: 1657012-43-5
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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
C₅H₅N₃O₂S
Molecular Weight
171.18
Synonyms
None
SMILES
N#CC1=CN(S(=O)(C)=O)N=C1
Tpsa
75.75
Logp
-0.43752
H Acceptors
5
H Donors
0
Rotatable Bonds
1
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₅N₃O₂S
Molecular Weight: 171.18
Synonyms: None
SMILES: N#CC1=CN(S(=O)(C)=O)N=C1
Tpsa: 75.75
Logp: -0.43752
H Acceptors: 5
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:
C₅H₅N₃O₂S
Molecular Weight:
171.18
Synonyms:
None
SMILES:
N#CC1=CN(S(=O)(C)=O)N=C1
Tpsa:
75.75
Logp:
-0.43752
H Acceptors:
5
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: C₁₈H₂₆N₂O₈
Molecular Weight: 398.41
Synonyms: None
SMILES: CC(C)(C)OC(N(CC(OC(C)(C)C)=O)C[C@H](N1C(C=CC1=O)=O)C(O)=O)=O
Tpsa: 130.52
Logp: 0.9434
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₆N₂O₈
Molecular Weight:
398.41
Synonyms:
None
SMILES:
CC(C)(C)OC(N(CC(OC(C)(C)C)=O)C[C@H](N1C(C=CC1=O)=O)C(O)=O)=O
Tpsa:
130.52
Logp:
0.9434
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈O₄S
Molecular Weight: 164.18
Synonyms: None
SMILES: O=C1OCCC1S(=O)(C)=O
Tpsa: 60.44
Logp: -0.6535
H Acceptors: 4
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:
C₅H₈O₄S
Molecular Weight:
164.18
Synonyms:
None
SMILES:
O=C1OCCC1S(=O)(C)=O
Tpsa:
60.44
Logp:
-0.6535
H Acceptors:
4
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: C₇H₁₂ClF₂NO₂
Molecular Weight: 215.63
Synonyms: None
SMILES: O=C(O)CN1CCC(F)(F)CC1.Cl
Tpsa: 40.54
Logp: 1.2239
H Acceptors: 2
H Donors: 1
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:
C₇H₁₂ClF₂NO₂
Molecular Weight:
215.63
Synonyms:
None
SMILES:
O=C(O)CN1CCC(F)(F)CC1.Cl
Tpsa:
40.54
Logp:
1.2239
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2