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5-Phenyl-2(3H)-benzoxazolethione

5-Phenyl-2(3H)-benzoxazolethione structure

CAS No:
17371-99-2
Formula:
C13H9NOS
Chemical Name:
5-Phenyl-2(3H)-benzoxazolethione
Synonyms:
2(3H)-Benzoxazolethione,5-phenyl-;2-Benzoxazolinethione,5-phenyl-;2-Benzoxazolethiol,5-phenyl-;5-Phenyl-2(3H)-benzoxazolethione;5-Phenylbenzoxazoline-2-thione;NSC 93817;5-Phenylbenzo[d]oxazole-2-thiol

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5-Phenyl-2(3H)-benzoxazolethione Basic Attributes

Molecular Weight：

227.28200

Exact Mass：

227.28

NSC Number：

93817

DSSTox ID：

DTXSID20169648

HScode：

2934999090

Characteristics

PSA：

64.83000

XLogP3：

3.78350

Density：

1.36g/cm3

Boiling Point：

384.2ºC

Flash Point：

186.2ºC

Refractive Index：

1.731

Vapor Pressure：

4.16E-06mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:227.28
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:227.04048508
Monoisotopic Mass:227.04048508
Topological Polar Surface Area:53.4
Heavy Atom Count:16
Complexity:275
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Phenyl-2(3H)-benzoxazolethione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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