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3-[(3-METHYLBENZYL)THIO]-1H-1,2,4-TRIAZOLE

3-[(3-METHYLBENZYL)THIO]-1H-1,2,4-TRIAZOLE structure

CAS No:
307545-27-3
Formula:
C10H11N3S
Chemical Name:
3-[(3-METHYLBENZYL)THIO]-1H-1,2,4-TRIAZOLE
Synonyms:
1H-1,2,4-Triazole, 5-[[(3-methylphenyl)methyl]thio]-

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3-[(3-METHYLBENZYL)THIO]-1H-1,2,4-TRIAZOLE Basic Attributes

Molecular Weight：

205.28

Exact Mass：

205.06736854 g/mol

DSSTox ID：

DTXSID10350184

Characteristics

PSA：

66.9 Å²

Density：

1.26±0.1 g/cm3

Melting Point：

54.6-55.8°

Boiling Point：

401.4±48.0 °C(Predicted)

PKA：

8.88±0.20

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:205.28
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:205.06736854
Monoisotopic Mass:205.06736854
Topological Polar Surface Area:66.9
Heavy Atom Count:14
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(3-METHYLBENZYL)THIO]-1H-1,2,4-TRIAZOLE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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