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4-BENZYL-5-THIOXO-[1,2,4]TRIAZOLIDIN-3-ONE

4-BENZYL-5-THIOXO-[1,2,4]TRIAZOLIDIN-3-ONE structure

CAS No:
119482-69-8
Formula:
C9H9N3OS
Chemical Name:
4-BENZYL-5-THIOXO-[1,2,4]TRIAZOLIDIN-3-ONE
Synonyms:
4-Benzyl-5-thioxo-[1,2,4]triazolidin-3-one;4-benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one;1,2,4-Triazolidin-3-one,4-(phenylmethyl)-5-thioxo-;Maybridge4_004456;4-benzyl-5-thioxo-1,2,4-triazolidin-3-one;ACMC-1C17P;SCHEMBL7805983;CTK4B1345;DTXSID40368277;HMS1533K12

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4-BENZYL-5-THIOXO-[1,2,4]TRIAZOLIDIN-3-ONE Basic Attributes

Molecular Weight：

207.251

Exact Mass：

207.04700

DSSTox ID：

DTXSID40368277

Characteristics

PSA：

76.5

XLogP3：

1.32070

Density：

1.42g/cm3

Boiling Point：

457.8ºC at 760mmHg

Flash Point：

230.7ºC

Refractive Index：

1.714

Vapor Pressure：

5.3E-09mmHg at 25°C

Computed Properties

Molecular Weight:207.25
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:207.04663309
Monoisotopic Mass:207.04663309
Topological Polar Surface Area:76.5
Heavy Atom Count:14
Complexity:250
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-BENZYL-5-THIOXO-[1,2,4]TRIAZOLIDIN-3-ONE

Basic Attributes
Characteristics
Computed Properties

4-BENZYL-5-THIOXO-[1,2,4]TRIAZOLIDIN-3-ONE

SDS

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