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1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione

1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione structure

CAS No:
88570-74-5
Formula:
C8H14N4O2S
Chemical Name:
1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione
Synonyms:
1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione;5H-Tetrazole-5-thione, 1,2-dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-

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1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione Basic Attributes

Molecular Weight：

230.29

Exact Mass：

230.08374688

Characteristics

PSA：

97.05000

XLogP3：

0.87890

Density：

1.52±0.1 g/cm3

Boiling Point：

317.8±52.0 °C(Predicted)

PKA：

0.52±0.20

1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione Use and Manufacturing

1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione is used as an intermediate in the preparation of beta-lactam antibiotic Flomoxef (F401850) as well one of its metabolite.

Computed Properties

Molecular Weight:230.29
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:230.08374688
Monoisotopic Mass:230.08374688
Topological Polar Surface Area:90.5
Heavy Atom Count:15
Complexity:261
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2-Dihydro-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-5H-tetrazole-5-thione

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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