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3-(Methylsulfonyl)-1-propene

3-(Methylsulfonyl)-1-propene structure

CAS No:
16215-14-8
Formula:
C4H8O2S
Chemical Name:
3-(Methylsulfonyl)-1-propene
Synonyms:
1-Propene,3-(methylsulfonyl)-;Sulfone,allyl methyl;3-(Methylsulfonyl)-1-propene;Allyl methyl sulfone;NSC 403680;3-Methanesulfonylprop-1-ene

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3-(Methylsulfonyl)-1-propene Basic Attributes

Molecular Weight：

120.17000

Exact Mass：

120.17

NSC Number：

403680

DSSTox ID：

DTXSID10167315

HScode：

2904100000

Characteristics

PSA：

42.52000

XLogP3：

1.29780

Density：

1.1752 g/cm³ @ Temp: 20 °C

Melting Point：

87-88 °C @ Solvent: Ethyl acetate

Boiling Point：

80-90 °C @ Press: 0.05 Torr

Flash Point：

120.3ºC

Refractive Index：

1.439

Vapor Pressure：

0.0477mmHg at 25°C

Safety Information

Precautionary statement(s)：

P280

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:120.17
XLogP3:0.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:120.02450067
Monoisotopic Mass:120.02450067
Topological Polar Surface Area:42.5
Heavy Atom Count:7
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Methylsulfonyl)-1-propene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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