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2-methyl-6-phenylthiomorpholine-3,5-dione

2-methyl-6-phenylthiomorpholine-3,5-dione structure

CAS No:
99842-98-5
Formula:
C11H11NO2S
Chemical Name:
2-methyl-6-phenylthiomorpholine-3,5-dione
Synonyms:
NSC84551;2-methyl-6-phenyl-thiomorpholine-3,5-dione;NCIOpen2_005261;SCHEMBL22623626;NSC-84551;99842-98-5

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2-methyl-6-phenylthiomorpholine-3,5-dione Basic Attributes

Molecular Weight：

221.28 g/mol

Exact Mass：

221.05104977 g/mol

NSC Number：

84551

Characteristics

PSA：

71.5 Å²

XLogP3：

1.8346

Melting Point：

114 - 115 °C (propan-2-ol)

Computed Properties

Molecular Weight:221.28
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:221.05104977
Monoisotopic Mass:221.05104977
Topological Polar Surface Area:71.5
Heavy Atom Count:15
Complexity:274
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

99855-83-1

99842-98-5

103616-08-6

99842-98-5

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Guide of 2-methyl-6-phenylthiomorpholine-3,5-dione

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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