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60045-61-6
5-ANISYLIDENE-2-THIOBARBITURIC ACID
Name
5-ANISYLIDENE-2-THIOBARBITURIC ACID
Formula
C12 H10 N2 O3 S
MolWeight
262.288
1Identification
【Name】
5-ANISYLIDENE-2-THIOBARBITURIC ACID
【CAS】
【MDL】
MFCD00023802
【English Synonyms】
【Formula】
C12 H10 N2 O3 S
【MolWeight】
262.288
【Inchi】
InChI=1S/C12H10N2O3S/c1-17-8-4-2-7(3-5-8)6-9-10(15)13-12(18)14-11(9)16/h2-6H,1H3,(H2,13,14,15,16,18)
【InChIKey】
InChIKey=ZTXJEYAMFKSOIY-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)C=C2C(=NC(=S)N=C2O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-ANISYLIDENE-2-THIOBARBITURIC ACID.cml
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