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5-Benzyl-1,2-dihydro-3H-1,2,4-triazole-3-thione

5-Benzyl-1,2-dihydro-3H-1,2,4-triazole-3-thione structure

CAS No:
28384-40-9
Formula:
C9H9N3S
Chemical Name:
5-Benzyl-1,2-dihydro-3H-1,2,4-triazole-3-thione

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5-Benzyl-1,2-dihydro-3H-1,2,4-triazole-3-thione Basic Attributes

Molecular Weight：

191.25300

Exact Mass：

191.05171847 g/mol

HScode：

2933990090

Characteristics

PSA：

80.37000

XLogP3：

1.68420

Density：

1.33g/cm3

Boiling Point：

298.6ºC at 760 mmHg

Flash Point：

134.4ºC

Refractive Index：

1.7

Vapor Pressure：

0.00125mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:191.26
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:191.05171847
Monoisotopic Mass:191.05171847
Topological Polar Surface Area:68.5
Heavy Atom Count:13
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Benzyl-1,2-dihydro-3H-1,2,4-triazole-3-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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