4-phenylsulfanylbutanoic acid
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4-phenylsulfanylbutanoic acid
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CAS No:
17742-51-7
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Formula:
C10H12O2S
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Chemical Name:
4-phenylsulfanylbutanoic acid
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Synonyms:
4-(phenylthio)butanoic acid;4-(phenylthio)butryic acid;PTBA acid;17742-51-7;4-(phenylthio)butanoic acid;4-(Phenylsulfanyl)butanoic acid;4-phenylsulfanylbutanoic acid;4-phenylsulfanyl-butyric acid;Butanoic acid, 4-(phenylthio)-;4-(Phenylthio)butyric acid;NSC115787;UNII-XQ70H061FX;XQ70H061FX;NSC-115787;Butanoic acid,4-(phenylthio)-;4-PHENYLSULFANYL-BUTYRICACID;NSC 115787;4-phenylthiobutanoic acid;Bionet2_000643;4-Phenylsulfanylbutyric acid;NCIStruc1_000128;NCIStruc2_000260;4-Phenylsulphanylbutyric acid;SCHEMBL1932191;CHEMBL1569559;DTXSID10170304;HMS1365N05;4-(Phenylsulfanyl)butanoic acid #;ZINC1705357;CCG-38143;MFCD02082831;NCGC00014157;NCI115787;SBB079552;STL286681;AKOS000117213;MCULE-1194220261;NCGC00014157-02;NCGC00097266-01;NCI60_000355;DB-065187;BB 0218494;FT-0754564;EN300-04238;L-3976;12P-609;F2182-0132
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CAS No:
4-phenylsulfanylbutanoic acid Basic Attributes
196.27 g/mol
196.05580079 g/mol
XQ70H061FX
115787
DTXSID10170304
Computed Properties
Molecular Weight:196.27
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:196.05580079
Monoisotopic Mass:196.05580079
Topological Polar Surface Area:62.6
Heavy Atom Count:13
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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