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1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione

1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione structure

CAS No:
6957-85-3
Formula:
C8H5N3S2
Chemical Name:
1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione
Synonyms:
1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione;s-Triazolo[3,4-b]benzothiazole-3-thiol;NSC 65299;[1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3(2H)-thione;[1,2,4]Triazolo[3,4-b][1,3]benzothiazole-3-thiol

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1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione Basic Attributes

Molecular Weight：

207.27500

Exact Mass：

207.28

NSC Number：

65299

DSSTox ID：

DTXSID40219836

HScode：

2934100090

Characteristics

PSA：

93.42000

XLogP3：

2.60660

Density：

1.73g/cm3

Melting Point：

255 °C (decomp) @ Solvent: Benzene

Boiling Point：

339.6ºC

Flash Point：

159.2ºC

Refractive Index：

1.935

Safety Information

Marks：

Computed Properties

Molecular Weight:207.3
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:206.99248952
Monoisotopic Mass:206.99248952
Topological Polar Surface Area:85
Heavy Atom Count:13
Complexity:289
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2,4-Triazolo[3,4-b]benzothiazole-3(2H)-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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