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5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol

5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol structure

CAS No:
130087-63-7
Formula:
C9H7Cl2N3OS
Chemical Name:
5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol
Synonyms:
5-((2,4-Dichlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol;NSC634489;5-[(2,4-dichlorophenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione;5-[(2,4-dichlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol;5-((2,4-Dichlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;CBMicro_003060;Oprea1_232723;Oprea1_625107;CHEMBL1975692;DTXSID30353632

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5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol Basic Attributes

Molecular Weight：

276.14238

Exact Mass：

274.96900

NSC Number：

634489

DSSTox ID：

DTXSID30353632

HScode：

2933990090

Characteristics

PSA：

77.7

XLogP3：

2.97920

Density：

1.63g/cm3

Boiling Point：

384.1ºC at 760 mmHg

Flash Point：

186.1ºC

Refractive Index：

1.712

Vapor Pressure：

4.2E-06mmHg at 25°C

Computed Properties

Molecular Weight:276.14
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:274.9686884
Monoisotopic Mass:274.9686884
Topological Polar Surface Area:77.7
Heavy Atom Count:16
Complexity:313
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol

Basic Attributes
Characteristics
Computed Properties

5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol

SDS

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