3-(2-methylfuran-3-yl)sulfanylheptan-4-one

CAS: 61295-41-8

Molecular Formula	`C12H18O2S`
Molecular Weight	226.34 g/mol
LogP	3.4
Topological Polar Surface Area	55.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	226.10275
Heavy Atoms	15
Complexity	206.0

Chemical Identifiers

CAS Number	61295-41-8
SMILES	`CCCC(=O)C(CC)SC1=C(OC=C1)C`
InChIKey	`GFRRQSASJZMMJC-UHFFFAOYSA-N`

📖 Product Overview

3-(2-methylfuran-3-yl)sulfanylheptan-4-one (CAS: 61295-41-8) is a chemical compound with molecular formula C12H18O2S and molecular weight 226.34 g/mol. Its IUPAC systematic name is 3-(2-methylfuran-3-yl)sulfanylheptan-4-one. LogP 3.4 Topological Polar Surface Area 55.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 226.10275 Heavy Atoms 15 Complexity 206.0 InChI Key: GFRRQSASJZMMJC-UHFFFAOYSA-N. SMILES: CCCC(=O)C(CC)SC1=C(OC=C1)C.

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