4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene

4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene

CAS: 21714-25-0

Formula: C11H13NO2S

SMILES: COC1=CC=C(CCN=C=S)C=C1OC

IUPAC: 4-(2-isothiocyanatoethyl)-1,2-dimethoxybenzene

InChI: InChI=1S/C11H13NO2S/c1-13-10-4-3-9(5-6-12-8-15)7-11(10)14-2/h3-4,7H,5-6H2,1-2H3

Composition: C (59.17%), H (5.87%), N (6.27%), O (14.33%), S (14.36%)

Molar Mass: 223.29

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.066699837
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GHYFLDWHIVKQLS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.62
Topological Polar Surface Area	30.82
Polarizability	24.69
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	21714-25-0		$223.56-$283.59$223.56$283.59