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Tetrahydrothiopyran-4-one

Tetrahydrothiopyran-4-one structure

CAS No:
1072-72-6
Formula:
C5H8OS
Chemical Name:
Tetrahydrothiopyran-4-one
Synonyms:
4H-Thiopyran-4-one,tetrahydro-;Tetrahydro-4H-thiopyran-4-one;Penthianone;4-Thiacyclohexanone;Tetrahydrothiopyran-4-one;1-Thiacyclohexan-4-one;2,3,5,6-Tetrahydro-4-thiopyranone;Tetrahydro-1-thio-4-pyrone;Tetrahydro-4-thiopyrone;4-Oxothiane;Tetrahydro-1-thio-γ-pyrone;4-Oxotetrahydrothiopyran;4-Thianone;Tetrahydrothiapyran-4-one;4-Thiacyclohexan-1-one;NSC 41599;Dihydro-2H-thiopyran-4(3H)-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

WHITE TO PALE YELLOW CRYSTALLINE SOLID

Tetrahydrothiopyran-4-one Basic Attributes

Molecular Weight：

116.18

Exact Mass：

116.18

EC Number：

214-015-7

UNII：

667X5M356L

NSC Number：

41599

DSSTox ID：

DTXSID40147948

HScode：

29349990

Characteristics

PSA：

42.4

XLogP3：

0.3

Appearance：

White to pale yellow Crystalline Solid

Density：

1.050 (estimate)

Melting Point：

65-66 °C

Boiling Point：

140.82°C (estimate)

Flash Point：

105.5±11.1 °C

Refractive Index：

1.5100 (estimate)

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

22-24/25

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (50%): 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 11 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Tetrahydrothiopyran-4-one Use and Manufacturing

Used in various condensation reactions to prepare dipeptide, spiroimidazolone, tetrahydrocarbazole and α-hydroxy ester.

Computed Properties

Molecular Weight:116.18
XLogP3:0.3
Hydrogen Bond Acceptor Count:2
Exact Mass:116.02958605
Monoisotopic Mass:116.02958605
Topological Polar Surface Area:42.4
Heavy Atom Count:7
Complexity:72.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1072-72-6

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Guide of Tetrahydrothiopyran-4-one

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Tetrahydrothiopyran-4-one

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