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1-(chloromethyl)-4-(phenylsulfanyl)benzene

1-(chloromethyl)-4-(phenylsulfanyl)benzene

CAS: 1208-87-3

Formula: C13H11ClS

SMILES: ClCC1=CC=C(SC2=CC=CC=C2)C=C1

IUPAC: 1-(chloromethyl)-4-(phenylsulfanyl)benzene

InChI: InChI=1S/C13H11ClS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H,10H2

Composition: C (66.52%), H (4.72%), Cl (15.10%), S (13.66%)

Molar Mass: 234.74

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 234.0269992
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey RLFHPRWHJYDGSD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.61
Topological Polar Surface Area 0
Polarizability 26.63
Ring Count 2
Rotatable Bond Count 3

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97% <7 Days 1208-87-3 $57.97-$393.64$57.97$85.09$393.64
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95% <6 Days 1208-87-3 $8.05-$272.55$8.05$29.90$41.40$82.80$272.55
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Key Organics Ltd
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95% <2 Days 1208-87-3 $51.35-$203.21$51.35$63.37$86.31$155.14$203.21
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80% <5 Days 1208-87-3 $775.00$775.00
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