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2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole

2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole structure

CAS No:
6965-83-9
Formula:
C17H13N3OS2
Chemical Name:
2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole
Synonyms:
2-benzothiazol-2-ylsulfanylmethyl-4-methyl-quinazoline 3-oxide;

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2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole Basic Attributes

Molecular Weight：

339.43500

Exact Mass：

339.05000439 g/mol

NSC Number：

64057

DSSTox ID：

DTXSID40219917

Characteristics

PSA：

104.78000

XLogP3：

4.87370

Density：

1.42g/cm3

Boiling Point：

585.5ºC

Flash Point：

307.9ºC

Refractive Index：

1.751

Computed Properties

Molecular Weight:339.4
XLogP3:3.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:339.05000439
Monoisotopic Mass:339.05000439
Topological Polar Surface Area:105
Heavy Atom Count:23
Complexity:413
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfanyl]-1,3-benzothiazole

Basic Attributes
Characteristics
Computed Properties

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