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5-Isothiocyanato-4-methylbenzothiazole

5-Isothiocyanato-4-methylbenzothiazole structure

CAS No:
208458-48-4
Formula:
C9H6N2S2
Chemical Name:
5-Isothiocyanato-4-methylbenzothiazole
Synonyms:
Benzothiazole,5-isothiocyanato-4-methyl-;5-Isothiocyanato-4-methylbenzothiazole

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5-Isothiocyanato-4-methylbenzothiazole Basic Attributes

Molecular Weight：

206.28734

Exact Mass：

206.29

Characteristics

PSA：

85.6

XLogP3：

4.1

Density：

1.35±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:206.3
XLogP3:4.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:205.99724055
Monoisotopic Mass:205.99724055
Topological Polar Surface Area:85.6
Heavy Atom Count:13
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Isothiocyanato-4-methylbenzothiazole

Basic Attributes
Characteristics
Computed Properties

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