1-bromo-3-isothiocyanatobenzene

1-bromo-3-isothiocyanatobenzene

CAS: 2131-59-1

Formula: C7H4BrNS

SMILES: BrC1=CC(=CC=C1)N=C=S

IUPAC: 1-bromo-3-isothiocyanatobenzene

InChI: InChI=1S/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

Composition: C (39.27%), H (1.88%), Br (37.32%), N (6.54%), S (14.98%)

Molar Mass: 214.08

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.924783
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ZMGMGHNOACSMQN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.74
Topological Polar Surface Area	12.36
Polarizability	18.76
Ring Count	1
Rotatable Bond Count	1

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