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6-Ethynyl-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran

6-Ethynyl-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran structure

CAS No:
118292-06-1
Formula:
C13H14S
Chemical Name:
6-Ethynyl-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran
Synonyms:
2H-1-Benzothiopyran,6-ethynyl-3,4-dihydro-4,4-dimethyl-;6-Ethynyl-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran;4,4-Dimethyl-6-ethynylthiochroman;6-Ethynyl-4,4-dimethyl-1,2,3,4-tetrahydro[1]benzthiothiopyran;(4,4-Dimethylthiochroman-6-yl)acetylene

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6-Ethynyl-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran Basic Attributes

Molecular Weight：

202.31500

Exact Mass：

202.32

EC Number：

601-515-9

DSSTox ID：

DTXSID20448804

Characteristics

PSA：

25.30000

XLogP3：

3.44130

Density：

1.09

Melting Point：

69-72ºC

Boiling Point：

100 °C @ Press: 0.7 Torr

Flash Point：

128ºC

Refractive Index：

1.597

Vapor Pressure：

0.002mmHg at 25°C

Computed Properties

Molecular Weight:202.32
XLogP3:3.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:202.08162162
Monoisotopic Mass:202.08162162
Topological Polar Surface Area:25.3
Heavy Atom Count:14
Complexity:258
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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6-Ethynyl-4,4-dimethylthiochroman

CAS No.: 118292-06-1

Content: 99.00%

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6-Ethynyl-4,4-dimethylthiochroman

CAS No.: 118292-06-1

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Guide of 6-Ethynyl-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran

Basic Attributes
Characteristics
Computed Properties
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