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2-(Methylthio)-6-nitrobenzothiazole

2-(Methylthio)-6-nitrobenzothiazole structure

CAS No:
3621-99-6
Formula:
C8H6N2O2S2
Chemical Name:
2-(Methylthio)-6-nitrobenzothiazole
Synonyms:
Benzothiazole,2-(methylthio)-6-nitro-;2-(Methylthio)-6-nitrobenzothiazole;2-Methylthio-6-nitrobenzothiazole;NSC 202563;2-Methylsulfanyl-6-nitro-1,3-benzothiazole;2-Methylsulfanyl-6-nitro-benzothiazole;2-(Methylsulfanyl)-6-nitro-1,3-benzothiazole;2-(Methylthio)-6-nitro-1,3-benzothiazole

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2-(Methylthio)-6-nitrobenzothiazole Basic Attributes

Molecular Weight：

226.268

Exact Mass：

226.28

NSC Number：

202563

DSSTox ID：

DTXSID60308155

HScode：

2934999090

Characteristics

PSA：

112

XLogP3：

3.44960

Density：

1.51g/cm3

Melting Point：

128 °C

Boiling Point：

395.4ºC at 760mmHg

Flash Point：

192.9ºC

Refractive Index：

1.718

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

Computed Properties

Molecular Weight:226.3
XLogP3:2.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:225.98706979
Monoisotopic Mass:225.98706979
Topological Polar Surface Area:112
Heavy Atom Count:14
Complexity:234
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Methylthio)-6-nitrobenzothiazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-(Methylthio)-6-nitrobenzothiazole

SDS

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