1-sulfanyl-3,6,9,12-tetraoxapentadecan-15-oic acid

1-sulfanyl-3,6,9,12-tetraoxapentadecan-15-oic acid

CAS: 749247-06-1

Formula: C11H22O6S

SMILES: OC(=O)CCOCCOCCOCCOCCS

IUPAC: 1-sulfanyl-3,6,9,12-tetraoxapentadecan-15-oic acid

InChI: InChI=1S/C11H22O6S/c12-11(13)1-2-14-3-4-15-5-6-16-7-8-17-9-10-18/h18H,1-10H2,(H,12,13)

Composition: C (46.79%), H (7.85%), O (34.00%), S (11.35%)

Molar Mass: 282.35

Atom Count: 40

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	282.113709602
Formal Charge	0
FSP3	0.91
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ORLGUGSEJFKLED-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.4
Topological Polar Surface Area	74.22
Polarizability	27.46
Ring Count	0
Rotatable Bond Count	14

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