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3-[[2-(4-Pyridinyl)ethyl]thio]valine

3-[[2-(4-Pyridinyl)ethyl]thio]valine structure

CAS No:
39555-40-3
Formula:
C12H18N2O2S
Chemical Name:
3-[[2-(4-Pyridinyl)ethyl]thio]valine
Synonyms:
Valine,3-[[2-(4-pyridinyl)ethyl]thio]-;DL-Valine,3-[[2-(4-pyridinyl)ethyl]thio]-;3-[[2-(4-Pyridinyl)ethyl]thio]valine;S-β-(4-Pyridylethyl)-DL-penicillamine;2-Amino-3-methyl-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid;2-Amino-3-methyl-3-((2-(pyridin-4-yl)ethyl)thio)butanoic acid

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3-[[2-(4-Pyridinyl)ethyl]thio]valine Basic Attributes

Molecular Weight：

254.34900

Exact Mass：

254.35

EC Number：

254-504-2

NSC Number：

163410

HScode：

2933399090

Characteristics

PSA：

101.51000

XLogP3：

2.24810

Density：

1.207g/cm3

Melting Point：

208-213ºC

Boiling Point：

444.3ºC

Flash Point：

222.5ºC

Refractive Index：

1.579

Storage Conditions：

2-8ºC

Safety Information

safety instructions：

S22; S24/25

Computed Properties

Molecular Weight:254.35
XLogP3:-1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:254.10889899
Monoisotopic Mass:254.10889899
Topological Polar Surface Area:102
Heavy Atom Count:17
Complexity:253
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[[2-(4-Pyridinyl)ethyl]thio]valine

Basic Attributes
Characteristics
Safety Information
Computed Properties

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