1-cyano-1-methylpropyl benzenecarbodithioate

1-cyano-1-methylpropyl benzenecarbodithioate

Formula: C12H13NS2

SMILES: CCC(C)(SC(=S)C1=CC=CC=C1)C#N

IUPAC: 1-cyano-1-methylpropyl benzenecarbodithioate

InChI: InChI=1/C12H13NS2/c1-3-12(2,9-13)15-11(14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3

Composition: C (61.24%), H (5.57%), N (5.95%), S (27.24%)

Molar Mass: 235.36

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	235.048941771
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PLCFUVHOKGMNCT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.31
Topological Polar Surface Area	23.79
Polarizability	27.78
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H13NS2		Quote Only