2-(4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetonitrile

Name: 2-(4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetonitrile
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CAS No. 1223598-91-1
Cat. No. CS-0554035
Purity≥98%
MDL No.None

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2-(4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetonitrile|CS-0554035

Structure of 1223598-91-1

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General Information

CAS No. 1223598-91-1
Cat. No. CS-0554035
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅N₃OS
Molecular Weight 191.21
Synonym(s) None
SMILES N#CCN(C=NC1=C2SC=C1)C2=O

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 58.68
LogP 0.98158
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Key Words

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2-(4-Oxothieno[3,2-d]pyrimidin-3(4H)-yl)acetonitrile

CAS No. 1223598-91-1

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