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2(5H)-THIOPHENONE

2(5H)-THIOPHENONE structure

CAS No:
3354-32-3
Formula:
C4H4OS
Chemical Name:
2(5H)-THIOPHENONE
Synonyms:
2H-thiophen-5-one;Thiophen-2(5H)-one;2(5H)-THIOPHENONE;2(5H)-Thiophenone98%;2,5-Dihydrothiophenone;2,5-Dihydrothiophene-2-one;2-Butenoicacid,4-mercapto-,gamma-(thiolactone)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2(5H)-THIOPHENONE Basic Attributes

Molecular Weight：

100.14

Exact Mass：

99.99830

DSSTox ID：

DTXSID50187193

HScode：

2934999090

Characteristics

PSA：

42.4

XLogP3：

0.81600

Density：

1.24 g/mL at 25 °C(lit.)

Boiling Point：

85-87 °C10 mm Hg(lit.)

Flash Point：

208 °F

Refractive Index：

n20/D 1.564(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:100.14
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Exact Mass:99.99828592
Monoisotopic Mass:99.99828592
Topological Polar Surface Area:42.4
Heavy Atom Count:6
Complexity:95.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes