1,3,5-trifluoro-2-isothiocyanatobenzene

1,3,5-trifluoro-2-isothiocyanatobenzene

CAS: 206761-91-3

Formula: C7H2F3NS

SMILES: FC1=CC(F)=C(N=C=S)C(F)=C1

IUPAC: 1,3,5-trifluoro-2-isothiocyanatobenzene

InChI: InChI=1S/C7H2F3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H

Composition: C (44.45%), H (1.07%), F (30.13%), N (7.41%), S (16.95%)

Molar Mass: 189.16

Atom Count: 14

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.986004731
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JPISVBDECFJHDB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.77
Topological Polar Surface Area	12.36
Polarizability	15.22
Ring Count	1
Rotatable Bond Count	1

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