CS-0610370
5-Ethynyl-1-methylpyrimidine-2,4(1H,3H)-dione
Manufacturer: ChemScene
CAS Number: 250658-12-9
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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
C₇H₆N₂O₂
Molecular Weight
150.13
Synonyms
2,4(1H,3H)-Pyrimidinedione, 5-ethynyl-1-methyl- (9CI)
SMILES
O=C1NC(C(C#C)=CN1C)=O
Tpsa
54.86
Logp
-0.9451
H Acceptors
3
H Donors
1
Rotatable Bonds
0
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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
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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: C₇H₆N₂O₂
Molecular Weight: 150.13
Synonyms: 2,4(1H,3H)-Pyrimidinedione, 5-ethynyl-1-methyl- (9CI)
SMILES: O=C1NC(C(C#C)=CN1C)=O
Tpsa: 54.86
Logp: -0.9451
H Acceptors: 3
H Donors: 1
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:
C₇H₆N₂O₂
Molecular Weight:
150.13
Synonyms:
2,4(1H,3H)-Pyrimidinedione, 5-ethynyl-1-methyl- (9CI)
SMILES:
O=C1NC(C(C#C)=CN1C)=O
Tpsa:
54.86
Logp:
-0.9451
H Acceptors:
3
H Donors:
1
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: C₁₈H₂₉NO₆S
Molecular Weight: 387.49
Synonyms: None
SMILES: O=C(NCCCCOCCOS(=O)(C1=CC=C(C)C=C1)=O)OC(C)(C)C
Tpsa: 90.93
Logp: 3.02182
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₉NO₆S
Molecular Weight:
387.49
Synonyms:
None
SMILES:
O=C(NCCCCOCCOS(=O)(C1=CC=C(C)C=C1)=O)OC(C)(C)C
Tpsa:
90.93
Logp:
3.02182
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₃₁NO₆
Molecular Weight: 321.41
Synonyms: None
SMILES: O=C(OC(C)(C)C)NCCOCCOCCCCOCCO
Tpsa: 86.25
Logp: 1.3334
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₃₁NO₆
Molecular Weight:
321.41
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NCCOCCOCCCCOCCO
Tpsa:
86.25
Logp:
1.3334
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈N₂
Molecular Weight: 156.18
Synonyms: None
SMILES: CN1N=C2C=C(C#C)C=CC2=C1
Tpsa: 17.82
Logp: 1.5546
H Acceptors: 2
H Donors: 0
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:
C₁₀H₈N₂
Molecular Weight:
156.18
Synonyms:
None
SMILES:
CN1N=C2C=C(C#C)C=CC2=C1
Tpsa:
17.82
Logp:
1.5546
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0