2-Butanethiol, 3-methyl-


Chemical Name: 2-Butanethiol, 3-methyl-
CAS Number: 2084-18-6
Product Number: AG002JOS(AGN-PC-0D5ZB2)
Synonyms:
MDL No:
Molecular Formula: C5H12S
Molecular Weight: 104.2138

Identification/Properties


Properties
MP:
-109.95°C (estimate)
BP:
103.8°C at 760 mmHg
Form:
Liquid
Stability:
Air Sensitive
Refractive Index:
n20/D 1.444(lit.)
Computed Properties
Molecular Weight:
104.211g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
104.066g/mol
Monoisotopic Mass:
104.066g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
32.9
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

Safety Information


NMR Spectrum


Other Analytical Data


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