Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Relative enthalpies of isomers - Comparison of 298.15K enthalpies (kJ mol^-1)

Isomers of C₅H₁₂S

index	Species	CAS number	Name	Relative experimental enthalpy (kJ mol-1)	sketch
a	C5H12S	1679089	1-Propanethiol, 2,2-dimethyl-	0.0
b	C5H12S	1679090	2-Butanethiol, 2-methyl-	1.8
c	C5H12S	6163640	Propane, 2-methyl-2-(methylthio)-	7.7
d	C5H12S	2084186	2-Butanethiol, 3-methyl-	7.7
e	C5H12S	5145993	Propane, 2-(ethylthio)-	11.5
f	C5H12S	1878188	1-Butanethiol, 2-methyl-	14.0
g	C5H12S	541311	1-Butanethiol, 3-methyl-	14.1
h	C5H12S	110667	1-Pentanethiol	17.9
i	C5H12S	4110503	Ethyl propyl sulfide	24.0
j	C5H12S	628295	Butane, 1-(methylthio)-	26.5