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

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

CAS No:
309726-20-3
Formula:
C11H13N3OS
Chemical Name:
4-METHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Synonyms:
ART-CHEM-BB B018077;CHEMBRDG-BB 3018077;A2222/0093579;EU-0085729;ZINC00269002;AKOS BBS-00003409;4-METHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL;TIMTEC-BB SBB007103

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

Molecular Weight：

235.31

Exact Mass：

235.07793322 g/mol

DSSTox ID：

DTXSID50354641

HScode：

2933990090

Characteristics

PSA：

78.74000

XLogP3：

1.99120

Density：

1.26±0.1 g/cm3

Boiling Point：

342.4±44.0 °C(Predicted)

Flash Point：

160.8ºC

Refractive Index：

1.632

PKA：

8.79±0.20

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:235.31
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:235.07793322
Monoisotopic Mass:235.07793322
Topological Polar Surface Area:69
Heavy Atom Count:16
Complexity:298
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Safety Information
Computed Properties

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