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2-methylsulfanyl-3-oxido-1,3-benzothiazol-3-ium

2-methylsulfanyl-3-oxido-1,3-benzothiazol-3-ium structure

CAS No:
91384-86-0
Formula:
C8H7NOS2
Chemical Name:
2-methylsulfanyl-3-oxido-1,3-benzothiazol-3-ium
Synonyms:
Benzothiazole, (methylthio)-, 3-oxide;91384-86-0;2-Methylthio-3-oxidobenzothiazole;DTXSID90238537

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2-methylsulfanyl-3-oxido-1,3-benzothiazol-3-ium Basic Attributes

Molecular Weight：

197.3 g/mol

Exact Mass：

196.99690619 g/mol

DSSTox ID：

DTXSID90238537

Characteristics

PSA：

79 Å²

Computed Properties

Molecular Weight:197.3
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:196.99690619
Monoisotopic Mass:196.99690619
Topological Polar Surface Area:79
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-methylsulfanyl-3-oxido-1,3-benzothiazol-3-ium

Basic Attributes
Characteristics
Computed Properties

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