3-(prop-2-yne-1-sulfinyl)prop-1-yne

3-(prop-2-yne-1-sulfinyl)prop-1-yne

CAS: 15292-69-0

Formula: C6H6OS

SMILES: O=S(CC#C)CC#C

IUPAC: 3-(prop-2-yne-1-sulfinyl)prop-1-yne

InChI: InChI=1S/C6H6OS/c1-3-5-8(7)6-4-2/h1-2H,5-6H2

Composition: C (57.12%), H (4.79%), O (12.68%), S (25.41%)

Molar Mass: 126.17

Atom Count: 14

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	126.013935987
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	IAIBALJMDAEJEV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.83
Topological Polar Surface Area	17.07
Polarizability	13.2
Ring Count	0
Rotatable Bond Count	2

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