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5-(3-nitrophenyl)-3H-1,3,4-oxadiazole-2-thione

5-(3-nitrophenyl)-3H-1,3,4-oxadiazole-2-thione structure

CAS No:
41421-07-2
Formula:
C8H5N3O3S
Chemical Name:
5-(3-nitrophenyl)-3H-1,3,4-oxadiazole-2-thione

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5-(3-nitrophenyl)-3H-1,3,4-oxadiazole-2-thione Basic Attributes

Molecular Weight：

223.20900

Exact Mass：

223.00516220 g/mol

NSC Number：

516835

DSSTox ID：

DTXSID90355258

HScode：

2934999090

Characteristics

PSA：

119.73000

XLogP3：

2.83060

Density：

1.66g/cm3

Boiling Point：

331.7ºC at 760 mmHg

Flash Point：

154.4ºC

Refractive Index：

1.751

Computed Properties

Molecular Weight:223.21
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:223.00516220
Monoisotopic Mass:223.00516220
Topological Polar Surface Area:112
Heavy Atom Count:15
Complexity:326
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(3-nitrophenyl)-3H-1,3,4-oxadiazole-2-thione

Basic Attributes
Characteristics
Computed Properties

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