3-(4-butylphenyl)-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

Name: 3-(4-butylphenyl)-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
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CAS No. 379255-86-4
Cat. No. CS-0219137
Molecule weight370.53
Purity≥95%
MDL No.None

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3-(4-butylphenyl)-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|CS-0219137

Structure of 379255-86-4

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General Information

CAS No. 379255-86-4
Cat. No. CS-0219137
Purity ≥95%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₀H₂₂N₂OS₂
Molecular Weight 370.53
Synonym(s) 4-(4-Butylphenyl)-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(CCCC)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 4.9573
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 4

Other Classifications

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-butylphenyl)-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one

CAS No. 379255-86-4

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