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5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL

5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL structure

CAS No:
63698-52-2
Formula:
C9H6N2O3S
Chemical Name:
5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL

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5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL Basic Attributes

Molecular Weight：

222.218

Exact Mass：

222.01000

DSSTox ID：

DTXSID40368651

HScode：

2934999090

Characteristics

PSA：

84.2

XLogP3：

1.75400

Density：

1.71g/cm3

Boiling Point：

313.4ºC at 760 mmHg

Flash Point：

143.3ºC

Refractive Index：

1.772

Computed Properties

Molecular Weight:222.22
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:222.00991323
Monoisotopic Mass:222.00991323
Topological Polar Surface Area:84.2
Heavy Atom Count:15
Complexity:321
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL

Basic Attributes
Characteristics
Computed Properties

5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL

SDS

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