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1-[(Phenylmethyl)thio]-2-propanone

1-[(Phenylmethyl)thio]-2-propanone structure

CAS No:
10230-69-0
Formula:
C10H12OS
Chemical Name:
1-[(Phenylmethyl)thio]-2-propanone
Synonyms:
2-Propanone,1-[(phenylmethyl)thio]-;2-Propanone,(benzylthio)-;2-Propanone,1-(benzylthio)-;1-[(Phenylmethyl)thio]-2-propanone;Benzylthio-2-propanone;1-(Benzylthio)-2-propanone;(Benzylthio)acetone;1-(Benzylthio)acetone;1-Benzylsulfanylpropan-2-one;1-(Benzylsulfanyl)propan-2-one

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1-[(Phenylmethyl)thio]-2-propanone Basic Attributes

Molecular Weight：

180.27

Exact Mass：

180.27

BRN：

1866268

EC Number：

233-552-8

DSSTox ID：

DTXSID50144887

Characteristics

PSA：

42.4

XLogP3：

2.50880

Density：

1.0820 g/cm³ @ Temp: 20 °C

Melting Point：

53-54 °C

Boiling Point：

155 °C

Flash Point：

>100°C

Refractive Index：

1.558

Vapor Pressure：

0.0074mmHg at 25°C

Safety Information

safety instructions：

24/25

Precautionary statement(s)：

P261, P264, P271, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P285, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:180.27
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:180.06088618
Monoisotopic Mass:180.06088618
Topological Polar Surface Area:42.4
Heavy Atom Count:12
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(Phenylmethyl)thio]-2-propanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-[(Phenylmethyl)thio]-2-propanone

SDS

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