CS-0549246
2-((4-Hydroxy-5-isopropyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetic acid
Manufacturer: ChemScene
CAS Number: 337499-85-1
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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
C₉H₁₂N₂O₄S
Molecular Weight
244.27
Synonyms
(4-HYDROXY-5-ISOPROPYL-6-OXO-1,6-DIHYDRO-PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
SMILES
CC(C)C1=C(N=C(NC1=O)SCC(=O)O)O
Tpsa
103.28
Logp
0.7756
H Acceptors
5
H Donors
3
Rotatable Bonds
4
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: C₉H₁₂N₂O₄S
Molecular Weight: 244.27
Synonyms: (4-HYDROXY-5-ISOPROPYL-6-OXO-1,6-DIHYDRO-PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
SMILES: CC(C)C1=C(N=C(NC1=O)SCC(=O)O)O
Tpsa: 103.28
Logp: 0.7756
H Acceptors: 5
H Donors: 3
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:
C₉H₁₂N₂O₄S
Molecular Weight:
244.27
Synonyms:
(4-HYDROXY-5-ISOPROPYL-6-OXO-1,6-DIHYDRO-PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
SMILES:
CC(C)C1=C(N=C(NC1=O)SCC(=O)O)O
Tpsa:
103.28
Logp:
0.7756
H Acceptors:
5
H Donors:
3
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: C₁₄H₁₆N₂O₄
Molecular Weight: 276.29
Synonyms: 1-(Mesitylmethyl)-3-methoxy-2,4,5-imidazolidinetrione
SMILES: CC1=CC(=C(C(=C1)C)CN2C(=O)C(=O)N(C2=O)OC)C
Tpsa: 66.92
Logp: 1.46406
H Acceptors: 4
H Donors: 0
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:
C₁₄H₁₆N₂O₄
Molecular Weight:
276.29
Synonyms:
1-(Mesitylmethyl)-3-methoxy-2,4,5-imidazolidinetrione
SMILES:
CC1=CC(=C(C(=C1)C)CN2C(=O)C(=O)N(C2=O)OC)C
Tpsa:
66.92
Logp:
1.46406
H Acceptors:
4
H Donors:
0
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: C₁₂H₆ClF₃N₂O₃
Molecular Weight: 318.64
Synonyms: 4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-NITROBENZENOL
SMILES: OC1=CC=C(C2=NC=C(C(F)(F)F)C=C2Cl)C=C1[N+]([O-])=O
Tpsa: 76.26
Logp: 4.0346
H Acceptors: 4
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:
C₁₂H₆ClF₃N₂O₃
Molecular Weight:
318.64
Synonyms:
4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-NITROBENZENOL
SMILES:
OC1=CC=C(C2=NC=C(C(F)(F)F)C=C2Cl)C=C1[N+]([O-])=O
Tpsa:
76.26
Logp:
4.0346
H Acceptors:
4
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: C₂₃H₁₉NO₃
Molecular Weight: 357.40
Synonyms: None
SMILES: CC1=C(C(=C(C=C1)C(=O)C2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)O)C
Tpsa: 57.61
Logp: 4.59344
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:
C₂₃H₁₉NO₃
Molecular Weight:
357.40
Synonyms:
None
SMILES:
CC1=C(C(=C(C=C1)C(=O)C2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)O)C
Tpsa:
57.61
Logp:
4.59344
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3