1,4-Butanedithiol

Catalog	ACM1191088
CAS	1191-08-8
Structure
Synonyms	1,4-Dibutyl mercaptan
IUPAC Name	Butane-1,4-dithiol
Molecular Weight	122.3
Molecular Formula	C4H10S2
Canonical SMILES	C(CCS)CS
InChI	InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
InChI Key	SMTOKHQOVJRXLK-UHFFFAOYSA-N
Boiling Point	105-106 °C
Melting Point	-53.9 °C
Flash Point	>230 °F
Purity	95%+
Density	1.042 g/mL at 25 °C(lit.)
Exact Mass	122.02239267
Monoisotopic Mass	122.02239267
Physical State	Liquid
Refractive Index	n20/D 1.529(lit.)
Topological Polar Surface Area	2 Ų