4-(1,3-dithian-2-yl)benzoic acid

4-(1,3-dithian-2-yl)benzoic acid

Formula: C11H12O2S2

SMILES: OC(=O)C1=CC=C(C=C1)C1SCCCS1

IUPAC: 4-(1,3-dithian-2-yl)benzoic acid

InChI: InChI=1S/C11H12O2S2/c12-10(13)8-2-4-9(5-3-8)11-14-6-1-7-15-11/h2-5,11H,1,6-7H2,(H,12,13)

Composition: C (54.97%), H (5.03%), O (13.31%), S (26.68%)

Molar Mass: 240.34

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.027871974
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CPSYTIVTRCUOTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.76
Topological Polar Surface Area	37.3
Polarizability	25.42
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C11H12O2S2		Quote Only