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Home > Encyclopedia > 1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate

1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate

1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate structure

1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate 

structure
  • CAS No:

    72076-50-7

  • Formula:

    C11H9NO4S

  • Chemical Name:

    1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate

  • Synonyms:

    1,3-Benzenedicarboxylic acid,5-isothiocyanato-,1,3-dimethyl ester;1,3-Benzenedicarboxylic acid,5-isothiocyanato-,dimethyl ester;1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate;Dimethyl 5-isothiocyanatoisophthalate

1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate Basic Attributes

251.25800

251.26

DTXSID0072483

2930909090

Characteristics

97.05000

1.99410

1.25g/cm3

114-115 °C

399.9ºC

195.7ºC

1.563

1,3-Dimethyl 5-isothiocyanato-1,3-benzenedicarboxylate Use and Manufacturing

1,3-Benzenedicarboxylic acid, 5-isothiocyanato-, 1,3-dimethyl ester: INACTIVE

Computed Properties

Molecular Weight:251.26
XLogP3:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:251.02522894
Monoisotopic Mass:251.02522894
Topological Polar Surface Area:97
Heavy Atom Count:17
Complexity:327
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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