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2-mercapto-1-tert-butylimidazole

2-mercapto-1-tert-butylimidazole structure

CAS No:
61640-27-5
Formula:
C7H12N2S
Chemical Name:
2-mercapto-1-tert-butylimidazole
Synonyms:
2-mercapto-1-tert-butylimidazole;1-(1,1-Dimethylethyl)-1,3-dihydro-2H-imidazole-2-thione;1-tert-butyl-1H-imidazole-2-thiol;2H-Imidazole-2-thione, 1-(1,1-dimethylethyl)-1,3-dihydro-

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2-mercapto-1-tert-butylimidazole Basic Attributes

Molecular Weight：

156.25

Exact Mass：

156.07211956

DSSTox ID：

DTXSID10476095

Characteristics

PSA：

56.62000

XLogP3：

1.92680

Density：

1.12±0.1 g/cm3

Melting Point：

189-190 °C

Boiling Point：

201.2±23.0 °C(Predicted)

PKA：

12.45±0.50

Computed Properties

Molecular Weight:156.25
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:156.07211956
Monoisotopic Mass:156.07211956
Topological Polar Surface Area:47.4
Heavy Atom Count:10
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-mercapto-1-tert-butylimidazole

Basic Attributes
Characteristics
Computed Properties

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