6-(methanesulfonylsulfanyl)hexanoic acid

6-(methanesulfonylsulfanyl)hexanoic acid

CAS: 76078-72-3

Formula: C7H14O4S2

SMILES: CS(=O)(=O)SCCCCCC(O)=O

IUPAC: 6-(methanesulfonylsulfanyl)hexanoic acid

InChI: InChI=1S/C7H14O4S2/c1-13(10,11)12-6-4-2-3-5-7(8)9/h2-6H2,1H3,(H,8,9)

Composition: C (37.15%), H (6.24%), O (28.28%), S (28.33%)

Molar Mass: 226.31

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	226.033351279
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FELVFSYUZJCULW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.25
Topological Polar Surface Area	71.44
Polarizability	21.55
Ring Count	0
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	76078-72-3		$210.11-$735.89$210.11$369.50$735.89