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3-methyl-1,4-dithiepan-2-one

3-methyl-1,4-dithiepan-2-one structure

CAS No:
72018-97-4
Formula:
C6H10OS2
Chemical Name:
3-methyl-1,4-dithiepan-2-one
Synonyms:
3-Methyl-1,4-dithiepan-2-one;3-methyl-[1,4]dithiepan-2-one;1,4-Dithiepan-2-one, 3-methyl-;3-Methyl-1,4-dithiepan-2-one #;72018-97-4

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3-methyl-1,4-dithiepan-2-one Basic Attributes

Molecular Weight：

162.3 g/mol

Exact Mass：

162.01730729 g/mol

Characteristics

PSA：

67.7 Å²

XLogP3：

1.7716

Melting Point：

54 - 55 °C (hexane)

Computed Properties

Molecular Weight:162.3
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Exact Mass:162.01730729
Monoisotopic Mass:162.01730729
Topological Polar Surface Area:67.7
Heavy Atom Count:9
Complexity:114
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

74647-07-7

72018-97-4

74637-09-5

72018-97-4

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Guide of 3-methyl-1,4-dithiepan-2-one

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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