1-isothiocyanato-4-phenoxybenzene

1-isothiocyanato-4-phenoxybenzene

CAS: 3529-87-1

Formula: C13H9NOS

SMILES: S=C=NC1=CC=C(OC2=CC=CC=C2)C=C1

IUPAC: 1-isothiocyanato-4-phenoxybenzene

InChI: InChI=1S/C13H9NOS/c16-10-14-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H

Composition: C (68.70%), H (3.99%), N (6.16%), O (7.04%), S (14.11%)

Molar Mass: 227.28

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	227.040485088
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ZKITXAAKDFPASL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.36
Topological Polar Surface Area	21.59
Polarizability	26.39
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	3529-87-1		Quote Only

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	3529-87-1		$63.05-$119.80$63.05$119.80