4-chloro-1-isothiocyanato-2-methylbenzene

4-chloro-1-isothiocyanato-2-methylbenzene

CAS: 23165-53-9

Formula: C8H6ClNS

SMILES: CC1=CC(Cl)=CC=C1N=C=S

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

InChI: InChI=1S/C8H6ClNS/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3

Composition: C (52.32%), H (3.29%), Cl (19.30%), N (7.63%), S (17.46%)

Molar Mass: 183.65

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.9909481
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XTYLRVPBHHRTMS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.97
Topological Polar Surface Area	12.36
Polarizability	19.65
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	23165-53-9		$179.06-$312.57$179.06$199.76$312.57