2,3,5,6,7,8-Hexahydro-2-thioxo-3-[3-(trifluoromethyl)phenyl][1]benzothieno[2,3-d]pyrimidin-4(1H)-one

Name: 2,3,5,6,7,8-Hexahydro-2-thioxo-3-[3-(trifluoromethyl)phenyl][1]benzothieno[2,3-d]pyrimidin-4(1H)-one
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CAS No. 721426-49-9
Cat. No. CS-0219139
Molecule weight382.42
Purity≥95%
MDL No.None

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2,3,5,6,7,8-Hexahydro-2-thioxo-3-[3-(trifluoromethyl)phenyl][1]benzothieno[2,3-d]pyrimidin-4(1H)-one|CS-0219139

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General Information

CAS No. 721426-49-9
Cat. No. CS-0219139
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₇H₁₃F₃N₂OS₂
Molecular Weight 382.42
Synonym(s) 5-sulfanyl-4-[3-(trifluoromethyl)phenyl]-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)N1C4=CC=CC(C(F)(F)F)=C4

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 34.89
LogP 4.6335
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 1

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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2,3,5,6,7,8-Hexahydro-2-thioxo-3-[3-(trifluoromethyl)phenyl][1]benzothieno[2,3-d]pyrimidin-4(1H)-one

CAS No. 721426-49-9

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