Computational Chemistry Comparison and Benchmark DataBase Release 19 (April 2018) 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 C₄H₁₀S

index	Species	CAS number	Name	Relative experimental enthalpy (kJ mol-1)	sketch
a	C(CH3)3SH	75661	2-Propanethiol, 2-methyl-	0.0
b	CH2(SH)CH(CH3)CH3	513440	1-Propanethiol, 2-methyl-	12.3
c	CH3CH(SH)CH2CH3	513531	2-Butanethiol	12.6
d	CH3C(SCH3)HCH3	1551219	Propane, 2-(methylthio)-	19.1
e	C4H9SH	109795	1-Butanethiol	20.4
f	C2H5SC2H5	352932	Diethyl sulfide	25.2