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5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-1,2,4-triazole-3-thione

5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-1,2,4-triazole-3-thione structure

CAS No:
110623-40-0
Formula:
C11H11N3O2S
Chemical Name:
5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-1,2,4-triazole-3-thione
Synonyms:
3H-1,2,4-Triazole-3-thione,2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl; 2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione; 3H-1,2,4-Triazole-3-thione,5-(1,3-benzodioxol-5-yl)-2,4-dihydro-2,4-dimethyl;

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5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-1,2,4-triazole-3-thione Basic Attributes

Molecular Weight：

249.28900

Exact Mass：

249.05719778

DSSTox ID：

DTXSID80149340

HScode：

2934999090

Characteristics

PSA：

73.30000

XLogP3：

1.88380

Density：

1.46g/cm3

Boiling Point：

332.9ºC at 760 mmHg

Flash Point：

155.1ºC

Refractive Index：

1.705

Vapor Pressure：

0.000142mmHg at 25°C

Computed Properties

Molecular Weight:249.29
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:249.05719778
Monoisotopic Mass:249.05719778
Topological Polar Surface Area:69.4
Heavy Atom Count:17
Complexity:374
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-1,2,4-triazole-3-thione

Basic Attributes
Characteristics
Computed Properties

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