 Home > Encyclopedia > 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one structure

CAS No:
883065-90-5
Formula:
C13H9N5O5S2
Chemical Name:
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one
Synonyms:
BI-78D3;

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Description

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-2-thiazolyl)thio]-1H-1,2,4-triazol-5-one is an aryl sulfide.

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one Basic Attributes

Molecular Weight：

379.37100

Exact Mass：

379.00451075

DSSTox ID：

DTXSID10372629

HScode：

2934999090

Characteristics

PSA：

181.39000

XLogP3：

2.37090

Density：

1.922g/cm3

Boiling Point：

705.721ºC

Flash Point：

380.606ºC

Refractive Index：

1.879

Drug Information

MeSH Entry Terms：

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-((5-nitro-2-thiazolyl)thio)-3H-1,2,4-triazol-3-one

Computed Properties

Molecular Weight:379.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:379.00451075
Monoisotopic Mass:379.00451075
Topological Polar Surface Area:175
Heavy Atom Count:25
Complexity:588
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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BI-78D3

CAS No.: 883065-90-5

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Guide of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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