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4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL

4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL structure

CAS No:
335215-56-0
Formula:
C12H15N3OS
Chemical Name:
4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Synonyms:
ART-CHEM-BB B018078;CHEMBRDG-BB 3018078;4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL;AKOS BBS-00003410;TIMTEC-BB SBB009437;Albb-003396;4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE);4-ethyl-5-[(4-methylphenoxy)methyl]-2H-1,2,4-triazole-3-thione

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4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL Basic Attributes

Molecular Weight：

249.33

Exact Mass：

249.09358328 g/mol

DSSTox ID：

DTXSID50354348

HScode：

2933990090

Characteristics

PSA：

78.74000

XLogP3：

2.47410

Density：

1.23±0.1 g/cm3

Boiling Point：

356.4±44.0 °C(Predicted)

Flash Point：

169.4ºC

Refractive Index：

1.62

PKA：

8.23±0.20

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:249.33
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:249.09358328
Monoisotopic Mass:249.09358328
Topological Polar Surface Area:69
Heavy Atom Count:17
Complexity:311
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL

Basic Attributes
Characteristics
Safety Information
Computed Properties

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