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3-[4-(diethylamino)phenyl]-4-methyl-1H-1,2,4-triazole-5-thione

3-[4-(diethylamino)phenyl]-4-methyl-1H-1,2,4-triazole-5-thione structure

CAS No:
669748-04-3
Formula:
C13H18N4S
Chemical Name:
3-[4-(diethylamino)phenyl]-4-methyl-1H-1,2,4-triazole-5-thione
Synonyms:
5-[4-(diethylamino)phenyl]-4-methyl-1,2,4-triazole-3-thiol; 5-[4-(diethylamino)phenyl]-4-methyl-4H-1,2,4-triazole-3-thiol;

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3-[4-(diethylamino)phenyl]-4-methyl-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

262.37400

Exact Mass：

262.12521776

DSSTox ID：

DTXSID30392783

HScode：

2933990090

Characteristics

PSA：

72.75000

XLogP3：

2.61700

Density：

1.18g/cm3

Boiling Point：

366.2ºC

Flash Point：

175.3ºC

Refractive Index：

1.621

Safety Information

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:262.38
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:262.12521776
Monoisotopic Mass:262.12521776
Topological Polar Surface Area:63
Heavy Atom Count:18
Complexity:330
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[4-(diethylamino)phenyl]-4-methyl-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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