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4-chlorophenyl chloromethanethioate

4-chlorophenyl chloromethanethioate

CAS: 937-64-4

Formula: C7H4Cl2OS

SMILES: ClC(=S)OC1=CC=C(Cl)C=C1

IUPAC: 4-chlorophenyl chloromethanethioate

InChI: InChI=1S/C7H4Cl2OS/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H

Composition: C (40.60%), H (1.95%), Cl (34.24%), O (7.73%), S (15.48%)

Molar Mass: 207.07

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 205.9359913
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey BQIABQCJXBELMT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.7
Topological Polar Surface Area 9.23
Polarizability 20.03
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS UnitPrice
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98% <6 Days 937-64-4 $55.20-$386.40$55.20$140.30$386.40
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