CS-0498730
5-(Ethoxycarbonyl)-2-(methylthio)pyrimidine-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1822839-68-8
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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
C₉H₁₀N₂O₄S
Molecular Weight
242.25
Synonyms
4,5-Pyrimidinedicarboxylic acid, 2-(methylthio)-, 5-ethyl ester
SMILES
O=C(C1=NC(SC)=NC=C1C(OCC)=O)O
Tpsa
89.38
Logp
1.0734
H Acceptors
6
H Donors
1
Rotatable Bonds
4
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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: C₉H₁₀N₂O₄S
Molecular Weight: 242.25
Synonyms: 4,5-Pyrimidinedicarboxylic acid, 2-(methylthio)-, 5-ethyl ester
SMILES: O=C(C1=NC(SC)=NC=C1C(OCC)=O)O
Tpsa: 89.38
Logp: 1.0734
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀N₂O₄S
Molecular Weight:
242.25
Synonyms:
4,5-Pyrimidinedicarboxylic acid, 2-(methylthio)-, 5-ethyl ester
SMILES:
O=C(C1=NC(SC)=NC=C1C(OCC)=O)O
Tpsa:
89.38
Logp:
1.0734
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁F₃N₄
Molecular Weight: 232.21
Synonyms: 2-(1-Piperazinyl)-5-(trifluoromethyl)pyrazine
SMILES: FC(C1=CN=C(N2CCNCC2)C=N1)(F)F
Tpsa: 41.05
Logp: 0.905
H Acceptors: 4
H Donors: 1
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:
C₉H₁₁F₃N₄
Molecular Weight:
232.21
Synonyms:
2-(1-Piperazinyl)-5-(trifluoromethyl)pyrazine
SMILES:
FC(C1=CN=C(N2CCNCC2)C=N1)(F)F
Tpsa:
41.05
Logp:
0.905
H Acceptors:
4
H Donors:
1
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: C₈H₁₄N₂O₂
Molecular Weight: 170.21
Synonyms: None
SMILES: O=C1N[C@@]2([H])[C@](CNCC2)(C)OC1
Tpsa: 50.36
Logp: -0.7466
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₄N₂O₂
Molecular Weight:
170.21
Synonyms:
None
SMILES:
O=C1N[C@@]2([H])[C@](CNCC2)(C)OC1
Tpsa:
50.36
Logp:
-0.7466
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₃ClF₃NO
Molecular Weight: 209.55
Synonyms: 1-(2-Chloro-pyridin-4-yl)-2,2,2-trifluoro-ethanone
SMILES: FC(F)(F)C(C1=CC(Cl)=NC=C1)=O
Tpsa: 29.96
Logp: 2.48
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₃ClF₃NO
Molecular Weight:
209.55
Synonyms:
1-(2-Chloro-pyridin-4-yl)-2,2,2-trifluoro-ethanone
SMILES:
FC(F)(F)C(C1=CC(Cl)=NC=C1)=O
Tpsa:
29.96
Logp:
2.48
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1