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5-[(DIMETHYLAMINO)METHYL]-1,3,4-OXADIAZOLE-2-THIOL

5-[(DIMETHYLAMINO)METHYL]-1,3,4-OXADIAZOLE-2-THIOL structure

CAS No:
33083-43-1
Formula:
C5H9N3OS
Chemical Name:
5-[(DIMETHYLAMINO)METHYL]-1,3,4-OXADIAZOLE-2-THIOL
Synonyms:
1,3,4-Oxadiazole-2(3H)-thione, 5-[(dimethylamino)methyl]-

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5-[(DIMETHYLAMINO)METHYL]-1,3,4-OXADIAZOLE-2-THIOL Basic Attributes

Molecular Weight：

159.21

Exact Mass：

159.04663309

DSSTox ID：

DTXSID10368860

Characteristics

Density：

1.34±0.1 g/cm3

Melting Point：

119 °C

Boiling Point：

175.7±42.0 °C(Predicted)

PKA：

3.50±0.70

Computed Properties

Molecular Weight:159.21
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:159.04663309
Monoisotopic Mass:159.04663309
Topological Polar Surface Area:69
Heavy Atom Count:10
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(DIMETHYLAMINO)METHYL]-1,3,4-OXADIAZOLE-2-THIOL

Basic Attributes
Characteristics
Computed Properties

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