Thiogeraniol

CAS	39067-80-6
Structure
Synonyms	Geranyl mercaptan
IUPAC Name	(2E)-3,7-dimethylocta-2,6-diene-1-thiol
Molecular Weight	170.32
Canonical SMILES	CC(=CCCC(=CCS)C)C
InChI	InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
InChI Key	FACAUSJJVBMWLV-JXMROGBWSA-N
Boiling Point	244.5±19.0 °C
Purity	99%+
Density	0.875±0.06 g/cm³
Exact Mass	170.11292175
Isomeric SMILES	CC(=CCC/C(=C/CS)/C)C
Monoisotopic Mass	170.11292175
Physical State	Liquid
Topological Polar Surface Area	1 Ų