532943-31-0
3-[3-(2,2-DIMETHYL-PROPIONYL)-THIOUREIDO]-BENZOIC ACID
Name
3-[3-(2,2-DIMETHYL-PROPIONYL)-THIOUREIDO]-BENZOIC ACID
Formula
C13 H16 N2 O3 S
MolWeight
280.346
1Identification
【Name】
3-[3-(2,2-DIMETHYL-PROPIONYL)-THIOUREIDO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03571048
【English Synonyms】
【Formula】
C13 H16 N2 O3 S
【MolWeight】
280.346
【Inchi】
InChI=1S/C13H16N2O3S/c1-13(2,3)11(18)15-12(19)14-9-6-4-5-8(7-9)10(16)17/h4-7H,1-3H3,(H,16,17)(H2,14,15,18,19)
【InChIKey】
InChIKey=AMCJLZIJFLLSOW-UHFFFAOYSA-N
【SMILES】
CC(C)(C)C(=O)NC(=S)Nc1cccc(c1)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[3-(2,2-DIMETHYL-PROPIONYL)-THIOUREIDO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U89214 nullnull
Country/Region:United States
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Catalog No:U89214 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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