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3-isocyanato-1,2-benzothiazole

3-isocyanato-1,2-benzothiazole structure

CAS No:
104121-71-3
Formula:
C8H4N2OS
Chemical Name:
3-isocyanato-1,2-benzothiazole
Synonyms:
104121-71-3;1,2-Benzothiazole, 3-isocyanato-;3-isocyanato-1,2-benzothiazole;1,2-Benzisothiazole,3-isocyanato-;1,2-Benzisothiazole, 3-isocyanato-;ACMC-20cbnq;DTXSID10146307

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3-isocyanato-1,2-benzothiazole Basic Attributes

Molecular Weight：

176.20 g/mol

Exact Mass：

176.00443393 g/mol

DSSTox ID：

DTXSID10146307

Characteristics

PSA：

70.6 Å²

Computed Properties

Molecular Weight:176.20
XLogP3:3.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:176.00443393
Monoisotopic Mass:176.00443393
Topological Polar Surface Area:70.6
Heavy Atom Count:12
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-isocyanato-1,2-benzothiazole

Basic Attributes
Characteristics
Computed Properties

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