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Home > Encyclopedia > 1-[(1S)-1-Isothiocyanatoethyl]-3-methoxybenzene

1-[(1S)-1-Isothiocyanatoethyl]-3-methoxybenzene

1-[(1S)-1-Isothiocyanatoethyl]-3-methoxybenzene structure

1-[(1S)-1-Isothiocyanatoethyl]-3-methoxybenzene 

structure
  • CAS No:

    737000-99-6

  • Formula:

    C10H11NOS

  • Chemical Name:

    1-[(1S)-1-Isothiocyanatoethyl]-3-methoxybenzene

  • Synonyms:

    Benzene,1-[(1S)-1-isothiocyanatoethyl]-3-methoxy-;1-[(1S)-1-Isothiocyanatoethyl]-3-methoxybenzene

1-[(1S)-1-Isothiocyanatoethyl]-3-methoxybenzene Basic Attributes

193.26544

193.27

DTXSID00426963

2930909090

Characteristics

53.7

3.6

1.120

Safety Information

8

Computed Properties

Molecular Weight:193.27
XLogP3:3.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:193.05613515
Monoisotopic Mass:193.05613515
Topological Polar Surface Area:53.7
Heavy Atom Count:13
Complexity:201
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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