4-isothiocyanato-N,N-dimethylnaphthalen-1-amine

4-isothiocyanato-N,N-dimethylnaphthalen-1-amine

CAS: 29711-79-3

Formula: C13H12N2S

SMILES: CN(C)C1=CC=C(N=C=S)C2=CC=CC=C12

IUPAC: 4-isothiocyanato-N,N-dimethylnaphthalen-1-amine

InChI: InChI=1S/C13H12N2S/c1-15(2)13-8-7-12(14-9-16)10-5-3-4-6-11(10)13/h3-8H,1-2H3

Composition: C (68.39%), H (5.30%), N (12.27%), S (14.04%)

Molar Mass: 228.31

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	228.072119568
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SMZHGTXTWIAKGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74
Topological Polar Surface Area	15.6
Polarizability	28.47
Ring Count	2
Rotatable Bond Count	2

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