3-[2-(4-Fluorophenyl)ethyl]-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

Name: 3-[2-(4-Fluorophenyl)ethyl]-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
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CAS No. 571155-96-9
Cat. No. CS-0220243
Purity≥95%
MDL No.None

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3-[2-(4-Fluorophenyl)ethyl]-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one|CS-0220243

Structure of 571155-96-9

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General Information

CAS No. 571155-96-9
Cat. No. CS-0220243
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₁₇FN₂OS₂
Molecular Weight 360.47
Synonym(s) 4-[2-(4-fluorophenyl)ethyl]-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
SMILES O=C1C(C2=C(CCCC2)S3)=C3N=C(S)N1CCC4=CC=C(F)C=C4

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 34.89
LogP 4.0073
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Mercaptan

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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3-[2-(4-Fluorophenyl)ethyl]-2,3,5,6,7,8-hexahydro-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

CAS No. 571155-96-9

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