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1-iodo-3-(methylsulfanyl)benzene

1-iodo-3-(methylsulfanyl)benzene

CAS: 130416-73-8

Formula: C7H7IS

SMILES: CSC1=CC(I)=CC=C1

IUPAC: 1-iodo-3-(methylsulfanyl)benzene

InChI: InChI=1S/C7H7IS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

Composition: C (33.62%), H (2.82%), I (50.74%), S (12.82%)

Molar Mass: 250.1

Atom Count: 16

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 249.93132
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey YCGZIDJUDNEVQI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.18
Topological Polar Surface Area 0
Polarizability 20.29
Ring Count 1
Rotatable Bond Count 1

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95% <5 Days 130416-73-8 $1,740.00$1,740.00
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