1-bromo-3-(cyclopropylsulfanyl)benzene

1-bromo-3-(cyclopropylsulfanyl)benzene

CAS: 1280786-81-3

Formula: C9H9BrS

SMILES: BrC1=CC=CC(SC2CC2)=C1

IUPAC: 1-bromo-3-(cyclopropylsulfanyl)benzene

InChI: InChI=1S/C9H9BrS/c10-7-2-1-3-9(6-7)11-8-4-5-8/h1-3,6,8H,4-5H2

Composition: C (47.18%), H (3.96%), Br (34.87%), S (13.99%)

Molar Mass: 229.14

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.960834
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	JORAQKMAPMVMTJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.75
Topological Polar Surface Area	0
Polarizability	20.89
Ring Count	2
Rotatable Bond Count	2

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