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

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

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

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

structure
  • CAS No:

    618427-86-4

  • Formula:

    C22H24N2O4S2

  • Chemical Name:

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

  • Synonyms:

    ZINC2522393;AKOS000899960;MCULE-9055644225;2-((2-(3,4-Dimethoxyphenyl)-2-oxoethyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;618427-86-4

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

444.6 g/mol

444.11774960 g/mol

Characteristics

122 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:444.6
XLogP3:4.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:444.11774960
Monoisotopic Mass:444.11774960
Topological Polar Surface Area:122
Heavy Atom Count:30
Complexity:688
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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