13136-55-5
(2S)-2-(BENZYLSULFANYL)PROPANOIC ACID
Name
(2S)-2-(BENZYLSULFANYL)PROPANOIC ACID
Formula
C10 H12 O2 S
MolWeight
196.269
1Identification
【Name】
(2S)-2-(BENZYLSULFANYL)PROPANOIC ACID
【CAS】
【MDL】
MFCD01076188
【English Synonyms】
【Formula】
C10 H12 O2 S
【MolWeight】
196.269
【Inchi】
InChI=1S/C10H12O2S/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1
【InChIKey】
InChIKey=QKHQITUHYKZKJI-QMMMGPOBSA-N
【SMILES】
C[C@@H](C(=O)O)SCc1ccccc1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(2S)-2-(BENZYLSULFANYL)PROPANOIC ACID.cml
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Catalog No:CCH0006712 5G
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Catalog No:500022075 1G
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Catalog No:500022075 10G
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Catalog No:210002587 50G
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Catalog No:210002587 1G
Country/Region:United States
Business Type:Trading Company
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