S-[2-(2-chloroethylsulfanyl)ethyl] benzenecarbothioate
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![S-[2-(2-chloroethylsulfanyl)ethyl] benzenecarbothioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/07d9d33f05544bf2a3992fb3056cb389.png "S-[2-(2-chloroethylsulfanyl)ethyl] benzenecarbothioate")
S-[2-(2-chloroethylsulfanyl)ethyl] benzenecarbothioate
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CAS No:
7400-76-2
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Formula:
C11H13ClOS2
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Chemical Name:
S-[2-(2-chloroethylsulfanyl)ethyl] benzenecarbothioate
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Synonyms:
NSC34725;ZINC1667160;NSC-34725
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CAS No:
S-[2-(2-chloroethylsulfanyl)ethyl] benzenecarbothioate Basic Attributes
260.8 g/mol
260.0096351 g/mol
DTXSID20276189
Computed Properties
Molecular Weight:331.4
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:331.157228913
Monoisotopic Mass:331.157228913
Topological Polar Surface Area:29.5
Heavy Atom Count:25
Complexity:674
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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