2-Mercapto-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4(3H)-one

Name: 2-Mercapto-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4(3H)-one
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CAS No. 861239-58-9
Cat. No. CS-0484245
Purity≥98%
MDL No.MFCD04969630

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2-Mercapto-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4(3H)-one|CS-0484245

Structure of 861239-58-9

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General Information

CAS No. 861239-58-9
Cat. No. CS-0484245
Purity ≥98%
MDL No. MFCD04969630
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₃N₃OS₂
Molecular Weight 303.40
Synonym(s) 5,6-Dimethyl-3-(pyridin-2-ylmethyl)-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
SMILES CC1=C(C)C2=C(S1)N=C(S)N(CC1=CC=CC=N1)C2=O

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

TPSA 47.78
LogP 2.80684
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Key Words

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2-Mercapto-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4(3H)-one

CAS No. 861239-58-9

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