3-(3-Chloro-4-methylphenyl)-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one

Name: 3-(3-Chloro-4-methylphenyl)-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one
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CAS No. 519150-61-9
Cat. No. CS-0348486
Molecule weight376.92
Purity≥95%
MDL No.None

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3-(3-Chloro-4-methylphenyl)-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one|CS-0348486

Structure of 519150-61-9

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General Information

CAS No. 519150-61-9
Cat. No. CS-0348486
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₁₇ClN₂OS₂
Molecular Weight 376.92
Synonym(s) None
SMILES O=C1C(C2=C(CC(C)CC2)S3)=C3N=C(S)N1C4=CC=C(C)C(Cl)=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 4.82252
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

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-(3-Chloro-4-methylphenyl)-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one

CAS No. 519150-61-9

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