1-isothiocyanato-2-(methylsulfanyl)benzene

1-isothiocyanato-2-(methylsulfanyl)benzene

CAS: 51333-75-6

Formula: C8H7NS2

SMILES: CSC1=CC=CC=C1N=C=S

IUPAC: 1-isothiocyanato-2-(methylsulfanyl)benzene

InChI: InChI=1S/C8H7NS2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3

Composition: C (53.01%), H (3.89%), N (7.73%), S (35.37%)

Molar Mass: 181.27

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.001991577
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SIODOISHDGRELW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.88
Topological Polar Surface Area	12.36
Polarizability	20.94
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<7 Days	51333-75-6		$208.04-$249.44$208.04$249.44