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

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

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

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

structure
  • CAS No:

    578737-17-4

  • Formula:

    C23H28N2OS2

  • Chemical Name:

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

  • Synonyms:

    2-[(4-tert-butylbenzyl)sulfanyl]-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;578737-17-4;ZINC2394903;STL342024;AKOS002188129;MCULE-8390779968;ST50081402;2-((4-(tert-Butyl)benzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;2-{[4-(tert-butyl)phenyl]methylthio}-3-ethyl-3,5,6,7,8-pentahydrobenzo[b]thiop heno[2,3-d]pyrimidin-4-one

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

412.6 g/mol

412.16430587 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:412.6
XLogP3:6.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:412.16430587
Monoisotopic Mass:412.16430587
Topological Polar Surface Area:86.2
Heavy Atom Count:28
Complexity:606
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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