4-isothiocyanato-1,2-dimethylbenzene

4-isothiocyanato-1,2-dimethylbenzene

CAS: 19241-17-9

Formula: C9H9NS

SMILES: CC1=CC=C(C=C1C)N=C=S

IUPAC: 4-isothiocyanato-1,2-dimethylbenzene

InChI: InChI=1S/C9H9NS/c1-7-3-4-9(10-6-11)5-8(7)2/h3-5H,1-2H3

Composition: C (66.22%), H (5.56%), N (8.58%), S (19.64%)

Molar Mass: 163.24

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	163.045570468
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JFSHJWKBNJMGOK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.2
Topological Polar Surface Area	12.36
Polarizability	19.59
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<7 Days	19241-17-9		$185.27-$1,106.42$185.27$249.44$423.32$1,106.42