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1,3-benzothiazol-2-yl(phenyl)methanone

1,3-benzothiazol-2-yl(phenyl)methanone structure

CAS No:
1629-75-0
Formula:
C14H9NOS
Chemical Name:
1,3-benzothiazol-2-yl(phenyl)methanone
Synonyms:
2-benzoylbenzothiazole; benzo[d]thiazol-2-yl(phenyl)methanone; benzothiazol-2-yl-phenyl ketone; HMS1396H12; 2-benzoyl-1,3-benzothiazole; benzothiazol-2-yl(phenyl)methanone;Expand

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1,3-benzothiazol-2-yl(phenyl)methanone Basic Attributes

Molecular Weight：

239.29200

Exact Mass：

239.04048508 g/mol

NSC Number：

252936

DSSTox ID：

DTXSID20312359

Characteristics

PSA：

58.20000

XLogP3：

3.52730

Density：

1.297g/cm3

Boiling Point：

401.5ºC at 760mmHg

Flash Point：

196.6ºC

Refractive Index：

1.688

Vapor Pressure：

1.18E-06mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:239.29
XLogP3:4.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:239.04048508
Monoisotopic Mass:239.04048508
Topological Polar Surface Area:58.2
Heavy Atom Count:17
Complexity:288
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-benzothiazol-2-yl(phenyl)methanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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