306936-78-7
Product Name:
5-MERCAPTO-4-(2-METHYLBUTYL)-4H-1,2,4-TRIAZOL-3-OL
Formula:
C7H13N3OS
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COMPUTED DESCRIPTORS
Molecular Weight | 187.27 g/mol |
---|---|
XLogP3 | 1.4 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 3 |
Exact Mass | 187.07793322 g/mol |
Monoisotopic Mass | 187.07793322 g/mol |
Topological Polar Surface Area | 76.5 Ų |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 207 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |