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

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

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

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

structure
  • CAS No:

    618879-69-9

  • Formula:

    C19H18ClFN2OS2

  • Chemical Name:

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

  • Synonyms:

    2-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;618879-69-9;C19H18ClFN2OS2;ZINC2397215;STL339518;AKOS002188275;MCULE-5389108308;ST50081413;2-((2-Chloro-6-fluorobenzyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;2-[(6-chloro-2-fluorophenyl)methylthio]-3-ethyl-3,5,6,7,8-pentahydrobenzo[b]th iopheno[2,3-d]pyrimidin-4-one

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

408.9 g/mol

408.0533114 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:408.9
XLogP3:5.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:408.0533114
Monoisotopic Mass:408.0533114
Topological Polar Surface Area:86.2
Heavy Atom Count:26
Complexity:578
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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