3,6,9,12-tetraoxapentadec-14-yne-1-thiol

3,6,9,12-tetraoxapentadec-14-yne-1-thiol

CAS: 1347750-80-4

Formula: C11H20O4S

SMILES: SCCOCCOCCOCCOCC#C

IUPAC: 3,6,9,12-tetraoxapentadec-14-yne-1-thiol

InChI: InChI=1S/C11H20O4S/c1-2-3-12-4-5-13-6-7-14-8-9-15-10-11-16/h1,16H,3-11H2

Composition: C (53.20%), H (8.12%), O (25.77%), S (12.91%)

Molar Mass: 248.34

Atom Count: 36

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	248.108230298
Formal Charge	0
FSP3	0.82
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QFVYBCQBSOIWFU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.2
Topological Polar Surface Area	36.92
Polarizability	25.75
Ring Count	0
Rotatable Bond Count	12

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