2-Pentanethiol


Chemical Name: 2-Pentanethiol
CAS Number: 2084-19-7
Product Number: AG002JOR(AGN-PC-05WYHD)
Synonyms:
MDL No:
Molecular Formula: C5H12S
Molecular Weight: 104.2138

Identification/Properties


Computed Properties
Molecular Weight:
104.211g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
104.066g/mol
Monoisotopic Mass:
104.066g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
27.1
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

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NMR Spectrum


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