3-(4-Chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one

Name: 3-(4-Chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one
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CAS No. 111423-08-6
Cat. No. CS-0116968
Molecule weight348.87
Purity≥95%
MDL No.None

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3-(4-Chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one|CS-0116968

Structure of 111423-08-6

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General Information

CAS No. 111423-08-6
Cat. No. CS-0116968
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₁₃ClN₂OS₂
Molecular Weight 348.87
Synonym(s) 4-(4-chlorophenyl)-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)N1C4=CC=C(Cl)C=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 4.2681
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-(4-Chlorophenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3h)-one

CAS No. 111423-08-6

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