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4-CYANO-3-TETRAHYDROTHIOPHENONE

4-CYANO-3-TETRAHYDROTHIOPHENONE structure

CAS No:
16563-14-7
Formula:
C5H5NOS
Chemical Name:
4-CYANO-3-TETRAHYDROTHIOPHENONE
Synonyms:
4-CYANO-3-OXOTETRAHYDROTHIOPHENE;4-CYANO-3-TETRAHYDROTHIOPHENONE;4-OXOTETRAHYDROTHIOPHENE-3-CARBONITRILE;Cyanotetrahydrothiophenone;4-CYANO-3-TETRAHYDROTHIOPHENONE 98+%;3-Oxotetrahydrothiophene-4-carbonitrile;Nsc298357;4-Cyanotetrahydro-3-thiophenone
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-CYANO-3-TETRAHYDROTHIOPHENONE Basic Attributes

Molecular Weight：

127.16

Exact Mass：

127.00900

NSC Number：

298357

DSSTox ID：

DTXSID70315991

HScode：

2934999090

Characteristics

PSA：

66.2

XLogP3：

0.44208

Density：

1.29

Melting Point：

71 °C

Boiling Point：

125 °C / 1mmHg

Flash Point：

141.4ºC

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, 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.

Drug Information

MeSH Entry Terms：

4-cyano-3-oxotetrahydrothiophene

Computed Properties

Molecular Weight:127.17
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Exact Mass:127.00918496
Monoisotopic Mass:127.00918496
Topological Polar Surface Area:66.2
Heavy Atom Count:8
Complexity:157
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-CYANO-3-TETRAHYDROTHIOPHENONE

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Latest News
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4-CYANO-3-TETRAHYDROTHIOPHENONE

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