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

Name: 2,3,5,6,7,8-Hexahydro-7-methyl-3-(2-methylpropyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
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CAS No. 728941-35-3
Cat. No. CS-0220776
Molecule weight308.46
Purity≥95%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2,3,5,6,7,8-Hexahydro-7-methyl-3-(2-methylpropyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one|CS-0220776

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General Information

CAS No. 728941-35-3
Cat. No. CS-0220776
Purity ≥95%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₂₀N₂OS₂
Molecular Weight 308.46
Synonym(s) 3-Isobutyl-7-methyl-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
SMILES O=C1C(C2=C(CC(C)CC2)S3)=C3N=C(S)N1CC(C)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 34.89
LogP 3.5275
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Key Words

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

CAS No. 728941-35-3

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