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5-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-1,3,4-OXADIAZOLE-2-THIOL

5-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-1,3,4-OXADIAZOLE-2-THIOL structure

CAS No:
175202-84-3
Formula:
C8H9BrN4OS
Chemical Name:
5-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-1,3,4-OXADIAZOLE-2-THIOL
Synonyms:
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol;1,3,4-Oxadiazole-2(3H)-thione,5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-;5-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-1,3,4-oxadiazole-2-thiol;C8H9BrN4OS;Maybridge1_004895;CTK4D5497;HMS555G11;DTXSID60381185;ZINC148798;5741AD

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5-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-1,3,4-OXADIAZOLE-2-THIOL Basic Attributes

Molecular Weight：

289.15

Exact Mass：

287.96800

DSSTox ID：

DTXSID60381185

HScode：

2934999090

Characteristics

PSA：

83.5

XLogP3：

1.98240

Density：

1.86g/cm3

Melting Point：

194 °C

Boiling Point：

353.3ºC at 760mmHg

Flash Point：

167.5ºC

Refractive Index：

1.75

Vapor Pressure：

3.62E-05mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

Computed Properties

Molecular Weight:289.15
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:287.96804
Monoisotopic Mass:287.96804
Topological Polar Surface Area:83.5
Heavy Atom Count:15
Complexity:311
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-1,3,4-OXADIAZOLE-2-THIOL

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-1,3,4-OXADIAZOLE-2-THIOL

SDS

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