5495-75-0
2-(4-ISOPROPYLPHENYLTHIO)BENZOIC ACID
Name
2-(4-ISOPROPYLPHENYLTHIO)BENZOIC ACID
Formula
C16 H16 O2 S
MolWeight
272.366
1Identification
【Name】
2-(4-ISOPROPYLPHENYLTHIO)BENZOIC ACID
【CAS】
【MDL】
MFCD08063805
【English Synonyms】
【Formula】
C16 H16 O2 S
【MolWeight】
272.366
【Inchi】
InChI=1S/C16H16O2S/c1-11(2)12-7-9-13(10-8-12)19-15-6-4-3-5-14(15)16(17)18/h3-11H,1-2H3,(H,17,18)
【InChIKey】
InChIKey=BRQKZKIYPNEMQZ-UHFFFAOYSA-N
【SMILES】
CC(C)c1ccc(cc1)Sc2ccccc2C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-ISOPROPYLPHENYLTHIO)BENZOIC ACID.cml
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Waterstone Technology, LLC
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Business Type:Others
http://www.waterstonetech.com
AK Scientific, Inc.
Catalog No:L221 nullnull
Country/Region:United States
Business Type:Others
http://www.aksci.com
Ennova MedChem Group Inc., formerly Arch Corporation
Catalog No:AK01571 nullnull
Country/Region:United States
Business Type:Others
http://www.ennovamedchem.com
Alfa Chemistry
Catalog No:ACM5495750 nullnull
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