CS-1174836
1-(2-(Methylsulfinyl)pyrimidin-5-yl)ethan-1-one
Manufacturer: ChemScene
CAS Number: 3046437-76-4
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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
C₇H₈N₂O₂S
Molecular Weight
184.22
Synonyms
None
SMILES
CC(C1=CN=C(S(C)=O)N=C1)=O
Tpsa
59.92
Logp
0.4166
H Acceptors
4
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: C₇H₈N₂O₂S
Molecular Weight: 184.22
Synonyms: None
SMILES: CC(C1=CN=C(S(C)=O)N=C1)=O
Tpsa: 59.92
Logp: 0.4166
H Acceptors: 4
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:
C₇H₈N₂O₂S
Molecular Weight:
184.22
Synonyms:
None
SMILES:
CC(C1=CN=C(S(C)=O)N=C1)=O
Tpsa:
59.92
Logp:
0.4166
H Acceptors:
4
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: C₁₃H₁₃NO₃
Molecular Weight: 231.25
Synonyms: None
SMILES: O=C(C1=CC=NC2=CC=C([C@H](OC)C)C=C12)O
Tpsa: 59.42
Logp: 2.6404
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₃NO₃
Molecular Weight:
231.25
Synonyms:
None
SMILES:
O=C(C1=CC=NC2=CC=C([C@H](OC)C)C=C12)O
Tpsa:
59.42
Logp:
2.6404
H Acceptors:
3
H Donors:
1
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: C₁₄H₁₆BNO₄
Molecular Weight: 273.09
Synonyms: None
SMILES: O=C(C1=C2C=C(B(O)O)C=CC2=NC=C1)OC(C)(C)C
Tpsa: 79.65
Logp: 0.8699
H Acceptors: 5
H Donors: 2
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:
C₁₄H₁₆BNO₄
Molecular Weight:
273.09
Synonyms:
None
SMILES:
O=C(C1=C2C=C(B(O)O)C=CC2=NC=C1)OC(C)(C)C
Tpsa:
79.65
Logp:
0.8699
H Acceptors:
5
H Donors:
2
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: C₃H₄FNaO₂
Molecular Weight: 114.05
Synonyms: None
SMILES: C[C@@H](F)C(O[Na])=O
Tpsa: 26.3
Logp: -0.0289
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:
C₃H₄FNaO₂
Molecular Weight:
114.05
Synonyms:
None
SMILES:
C[C@@H](F)C(O[Na])=O
Tpsa:
26.3
Logp:
-0.0289
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1