4-Cyclohexyl-5-[(3,4-dimethoxyphenyl)methyl]-4h-1,2,4-triazole-3-thiol

Name: 4-Cyclohexyl-5-[(3,4-dimethoxyphenyl)methyl]-4h-1,2,4-triazole-3-thiol
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CAS No. 748776-53-6
Cat. No. CS-0219220
Purity≥97%
MDL No.None

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4-Cyclohexyl-5-[(3,4-dimethoxyphenyl)methyl]-4h-1,2,4-triazole-3-thiol|CS-0219220

Structure of 748776-53-6

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General Information

CAS No. 748776-53-6
Cat. No. CS-0219220
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₇H₂₃N₃O₂S
Molecular Weight 333.45
Synonym(s) None
SMILES SC1=NN=C(CC2=CC=C(OC)C(OC)=C2)N1C3CCCCC3

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 49.17
LogP 3.68
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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4-Cyclohexyl-5-[(3,4-dimethoxyphenyl)methyl]-4h-1,2,4-triazole-3-thiol

CAS No. 748776-53-6

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