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4-(2-Benzothiazolyl)-1,3-benzenediol

4-(2-Benzothiazolyl)-1,3-benzenediol structure

CAS No:
6265-56-1
Formula:
C13H9NO2S
Chemical Name:
4-(2-Benzothiazolyl)-1,3-benzenediol
Synonyms:
1,3-Benzenediol,4-(2-benzothiazolyl)-;Resorcinol,4-(2-benzothiazolyl)-;4-(2-Benzothiazolyl)-1,3-benzenediol;NSC 33005;4-(Benzo[d]thiazol-2-yl)benzene-1,3-diol

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4-(2-Benzothiazolyl)-1,3-benzenediol Basic Attributes

Molecular Weight：

243.28

Exact Mass：

243.28

NSC Number：

33005

Characteristics

PSA：

81.6 Å²

Density：

1.444±0.06 g/cm3

Melting Point：

201-201.5 °C

Boiling Point：

474.1±38.0 °C(Predicted)

PKA：

7.86±0.35

Computed Properties

Molecular Weight:243.28
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:243.03539970
Monoisotopic Mass:243.03539970
Topological Polar Surface Area:81.6
Heavy Atom Count:17
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2-Benzothiazolyl)-1,3-benzenediol

Basic Attributes
Characteristics
Computed Properties

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