3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacont-38-yne-1-thiol

3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacont-38-yne-1-thiol

Formula: C27H52O12S

SMILES: SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C

IUPAC: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacont-38-yne-1-thiol

InChI: InChI=1S/C27H52O12S/c1-2-3-28-4-5-29-6-7-30-8-9-31-10-11-32-12-13-33-14-15-34-16-17-35-18-19-36-20-21-37-22-23-38-24-25-39-26-27-40/h1,40H,3-27H2

Composition: C (53.98%), H (8.72%), O (31.96%), S (5.34%)

Molar Mass: 600.76

Atom Count: 92

Heavy Atom Count: 40

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	600.317948288
Formal Charge	0
FSP3	0.93
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	1
InChIKey	PUJKZZAUEFVSGU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	154.55
Topological Polar Surface Area	110.76
Polarizability	60.89
Ring Count	0
Rotatable Bond Count	36

Suppliers

Axispharm

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C27H52O12S		$453.60-$1,086.75$453.60$604.80$793.80$1,086.75