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4-BUTYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-OL

4-BUTYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-OL structure

CAS No:
27106-11-2
Formula:
C6H11N3OS
Chemical Name:
4-BUTYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-OL
Synonyms:
4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol;4-butyl-5-sulfanyl-4H-1,2,4-triazol-3-ol;CTK4F9089;DTXSID50368925;HMS1715P16;ZINC6888058;AKOS008967715;MCULE-4500777527;NE30555;4-butyl-5-thioxo-[1,2,4]triazolidin-3-one

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4-BUTYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-OL Basic Attributes

Molecular Weight：

173.234

Exact Mass：

173.06200

DSSTox ID：

DTXSID50368925

HScode：

2933990090

Characteristics

PSA：

76.5

XLogP3：

1.07250

Density：

1.29g/cm3

Melting Point：

154.5-155.5 °C

Boiling Point：

363ºC at 760mmHg

Flash Point：

173.3ºC

Refractive Index：

1.605

Computed Properties

Molecular Weight:173.24
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:173.06228316
Monoisotopic Mass:173.06228316
Topological Polar Surface Area:76.5
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-BUTYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-OL

Basic Attributes
Characteristics
Computed Properties

4-BUTYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-3-OL

SDS

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