3-Mercapto-2-methylpentanal

Catalog	ACM227456282
CAS	227456-28-2
Structure
Synonyms	3-Mercapto-2-methyl-1-pentanal
IUPAC Name	2-Methyl-3-sulfanylpentanal
Molecular Weight	132.23
Molecular Formula	C6H12OS
Canonical SMILES	CCC(C(C)C=O)S
InChI	InChI=1S/C6H12OS/c1-3-6(8)5(2)4-7/h4-6,8H,3H2,1-2H3
InChI Key	FSAGSGCELJTQFN-UHFFFAOYSA-N
Boiling Point	178.6±23.0 °C
Purity	95%+
Density	0.946±0.06 g/cm³
Solubility	Insoluble in water; soluble in organic solvents
Exact Mass	132.06088618
Monoisotopic Mass	132.06088618
Physical State	Viscous oil
Topological Polar Surface Area	18.1 Ų