2-isothiocyanato-1-methoxy-4-methylbenzene

2-isothiocyanato-1-methoxy-4-methylbenzene

CAS: 190774-56-2

Formula: C9H9NOS

SMILES: COC1=CC=C(C)C=C1N=C=S

IUPAC: 2-isothiocyanato-1-methoxy-4-methylbenzene

InChI: InChI=1S/C9H9NOS/c1-7-3-4-9(11-2)8(5-7)10-6-12/h3-5H,1-2H3

Composition: C (60.31%), H (5.06%), N (7.81%), O (8.93%), S (17.89%)

Molar Mass: 179.24

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.040485088
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CYKFAZDMLSXWKZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.63
Topological Polar Surface Area	21.59
Polarizability	20.31
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	190774-56-2		$191.48-$432.63$191.48$252.54$432.63