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Home > Encyclopedia > 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one structure

2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one 

structure
  • CAS No:

    587002-88-8

  • Formula:

    C21H24N2OS2

  • Chemical Name:

    2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

  • Synonyms:

    2-[(2,5-dimethylbenzyl)sulfanyl]-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;587002-88-8;ZINC2394379;STL341955;AKOS002188516;MCULE-9989842952;ST50081432;2-((2,5-Dimethylbenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;2-[(2,5-dimethylphenyl)methylthio]-3-ethyl-3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-4-one

2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes

384.6 g/mol

384.13300574 g/mol

Characteristics

86.2 Ų

Safety Information

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:384.6
XLogP3:5.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:384.13300574
Monoisotopic Mass:384.13300574
Topological Polar Surface Area:86.2
Heavy Atom Count:26
Complexity:566
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

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