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1-oxothian-4-one

1-oxothian-4-one structure

CAS No:
17396-36-0
Formula:
C5H8O2S
Chemical Name:
1-oxothian-4-one
Synonyms:
Thian-4-one S-oxide; 4-Oxothiane 1-oxide; Tetrahydro-4H-thiopyran-4-one 1-oxide;

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1-oxothian-4-one Basic Attributes

Molecular Weight：

132.18100

Exact Mass：

132.02450067 g/mol

DSSTox ID：

DTXSID00337727

HScode：

2934999090

Characteristics

PSA：

53.35000

XLogP3：

0.96370

Density：

1.31g/cm3

Boiling Point：

369ºC

Flash Point：

176.9ºC

Refractive Index：

1.553

Vapor Pressure：

1.23E-05mmHg 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:132.18
XLogP3:-1.3
Hydrogen Bond Acceptor Count:3
Exact Mass:132.02450067
Monoisotopic Mass:132.02450067
Topological Polar Surface Area:53.4
Heavy Atom Count:8
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-oxothian-4-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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