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2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile

2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile structure

CAS No:
786718-73-8
Formula:
C15H10N2O3S
Chemical Name:
2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile
Synonyms:
MLS000974405;CHEMBL1901186;HMS2828I21;ZINC3367012;STL376258;AKOS000179010;MCULE-4432443408;SMR000497909;AB00728197-01;SR-01000058148;SR-01000058148-1;Z18754659;2-[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl]benzonitrile;2-[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methyl]benzonitrile;2-[(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)methyl]benzonitrile;786718-73-8

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2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile Basic Attributes

Molecular Weight：

298.3 g/mol

Exact Mass：

298.04121336 g/mol

Characteristics

PSA：

86.6 Å²

Water Solubility：

0.8 [ug/mL]

Computed Properties

Molecular Weight:298.3
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:298.04121336
Monoisotopic Mass:298.04121336
Topological Polar Surface Area:86.6
Heavy Atom Count:21
Complexity:572
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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