1-fluoro-3-isothiocyanato-2-methylbenzene

1-fluoro-3-isothiocyanato-2-methylbenzene

CAS: 363179-58-2

Formula: C8H6FNS

SMILES: CC1=C(C=CC=C1F)N=C=S

IUPAC: 1-fluoro-3-isothiocyanato-2-methylbenzene

InChI: InChI=1S/C8H6FNS/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3

Composition: C (57.47%), H (3.62%), F (11.36%), N (8.38%), S (19.17%)

Molar Mass: 167.2

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.020498534
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	YZQYVLUFNMYFLM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.38
Topological Polar Surface Area	12.36
Polarizability	17.44
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	363179-58-2		$291.87-$3,327.53$291.87$551.66$1,423.13$3,327.53