16-sulfanylhexadecanoic acid

16-sulfanylhexadecanoic acid

CAS: 69839-68-5

Formula: C16H32O2S

SMILES: OC(=O)CCCCCCCCCCCCCCCS

IUPAC: 16-sulfanylhexadecanoic acid

InChI: InChI=1S/C16H32O2S/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19/h19H,1-15H2,(H,17,18)

Composition: C (66.61%), H (11.18%), O (11.09%), S (11.11%)

Molar Mass: 288.49

Atom Count: 51

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	288.212301444
Formal Charge	0
FSP3	0.94
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	INOAASCWQMFJQA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	85.04
Topological Polar Surface Area	37.3
Polarizability	33.77
Ring Count	0
Rotatable Bond Count	15

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