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Home > Encyclopedia > Acetonitrile, [(5-methyl-3-isoxazolyl)thio]- (9CI)

Acetonitrile, [(5-methyl-3-isoxazolyl)thio]- (9CI)

Acetonitrile, [(5-methyl-3-isoxazolyl)thio]- (9CI) structure

Acetonitrile, [(5-methyl-3-isoxazolyl)thio]- (9CI) 

structure
  • CAS No:

    66196-66-5

  • Formula:

    C6H6N2OS

  • Chemical Name:

    Acetonitrile, [(5-methyl-3-isoxazolyl)thio]- (9CI)

  • Synonyms:

    ZINC39112936;[(5-Methyl-1,2-oxazol-3-yl)sulfanyl]acetonitrile;ACETONITRILE,[(5-METHYL-3-ISOXAZOLYL)THIO]-

Acetonitrile, [(5-methyl-3-isoxazolyl)thio]- (9CI) Basic Attributes

154.18964

154.02

Characteristics

75.1

1.4

Computed Properties

Molecular Weight:154.19
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:154.02008399
Monoisotopic Mass:154.02008399
Topological Polar Surface Area:75.1
Heavy Atom Count:10
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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