2-((5,6-Dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetic acid

Name: 2-((5,6-Dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
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CAS No. 79587-86-3
Cat. No. CS-0546329
Molecule weight346.42
Purity≥98%
MDL No.None

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2-((5,6-Dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetic acid|CS-0546329

Structure of 79587-86-3

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General Information

CAS No. 79587-86-3
Cat. No. CS-0546329
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₄N₂O₃S₂
Molecular Weight 346.42
Synonym(s) (5,6-DIMETHYL-4-OXO-3-PHENYL-3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
SMILES CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)O)C3=CC=CC=C3)C

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 72.19
LogP 3.24074
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-((5,6-Dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetic acid

CAS No. 79587-86-3

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