6-(2-isothiocyanatoethyl)-2,3-dihydro-1,4-benzodioxine

6-(2-isothiocyanatoethyl)-2,3-dihydro-1,4-benzodioxine

Formula: C11H11NO2S

SMILES: S=C=NCCC1=CC2=C(OCCO2)C=C1

IUPAC: 6-(2-isothiocyanatoethyl)-2,3-dihydro-1,4-benzodioxine

InChI: InChI=1S/C11H11NO2S/c15-8-12-4-3-9-1-2-10-11(7-9)14-6-5-13-10/h1-2,7H,3-6H2

Composition: C (59.71%), H (5.01%), N (6.33%), O (14.46%), S (14.49%)

Molar Mass: 221.27

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.051049772
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WQTAEIAJAJWHCC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.65
Topological Polar Surface Area	30.82
Polarizability	23.96
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C11H11NO2S		Quote Only