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Home > Encyclopedia > 6-Benzothiazoleaceticacid,2,3-dihydro-2-thioxo-(9CI)

6-Benzothiazoleaceticacid,2,3-dihydro-2-thioxo-(9CI)

6-Benzothiazoleaceticacid,2,3-dihydro-2-thioxo-(9CI) structure

6-Benzothiazoleaceticacid,2,3-dihydro-2-thioxo-(9CI) 

structure
  • CAS No:

    30132-17-3

  • Formula:

    C9H7NO2S2

  • Chemical Name:

    6-Benzothiazoleaceticacid,2,3-dihydro-2-thioxo-(9CI)

  • Synonyms:

    2,3-DIHYDRO-2-THIOXO-6-BENZO[D]THIAZOLEACETIC ACID;CTK4G4520;DTXSID00663351;ZINC45237859;6-Benzothiazoleacetic acid, 2,3-dihydro-2-thioxo-;2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)acetic acid;(2-Sulfanylidene-2,3-dihydro-1,3-benzothiazol-6-yl)acetic acid

6-Benzothiazoleaceticacid,2,3-dihydro-2-thioxo-(9CI) Basic Attributes

225.28738

224.992

DTXSID00663351

Characteristics

107

1.9

1.59±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:225.3
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:224.99182081
Monoisotopic Mass:224.99182081
Topological Polar Surface Area:107
Heavy Atom Count:14
Complexity:270
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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