[2-(benzoylsulfanyl)ethyl]trimethylazanium iodide

[2-(benzoylsulfanyl)ethyl]trimethylazanium iodide

CAS: 10561-14-5

Formula: C12H18INOS

SMILES: [I-].C[N+](C)(C)CCSC(=O)C1=CC=CC=C1

IUPAC: [2-(benzoylsulfanyl)ethyl]trimethylazanium iodide

InChI: InChI=1S/C12H18NOS.HI/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1

Composition: C (41.03%), H (5.17%), I (36.13%), N (3.99%), O (4.55%), S (9.13%)

Molar Mass: 351.25

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	351.01538
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PCGVSJGEHWZOBK-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	78.51
Topological Polar Surface Area	17.07
Polarizability	26
Ring Count	1
Rotatable Bond Count	5

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