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3-(METHYLSULFONYL)-1H-1,2,4-TRIAZOLE

3-(METHYLSULFONYL)-1H-1,2,4-TRIAZOLE structure

CAS No:
3589-05-7
Formula:
C3H5N3O2S
Chemical Name:
3-(METHYLSULFONYL)-1H-1,2,4-TRIAZOLE
Synonyms:
3-(methylsulfonyl)-1H-1,2,4-triazole;5-methylsulfonyl-1H-1,2,4-triazole;3-methanesulfonyl-4H-1,2,4-triazole;SCHEMBL1711706;SCHEMBL11959960;CTK4H5533;DTXSID40391601;3-methylsulfonyl-1,2,4-triazole;3-methylsulphonyl-1,2,4-triazole;ZINC6928586

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3-(METHYLSULFONYL)-1H-1,2,4-TRIAZOLE Basic Attributes

Molecular Weight：

147.152

Exact Mass：

147.01000

DSSTox ID：

DTXSID40391601

HScode：

2933990090

Characteristics

PSA：

84.1

XLogP3：

0.28900

Density：

1.533g/cm3

Boiling Point：

385.2ºC at 760 mmHg

Flash Point：

186.8ºC

Refractive Index：

1.531

Computed Properties

Molecular Weight:147.16
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:147.01024758
Monoisotopic Mass:147.01024758
Topological Polar Surface Area:84.1
Heavy Atom Count:9
Complexity:182
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(METHYLSULFONYL)-1H-1,2,4-TRIAZOLE

Basic Attributes
Characteristics
Computed Properties

3-(METHYLSULFONYL)-1H-1,2,4-TRIAZOLE

SDS

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