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24738-19-0 | 4-Thiazolidinone, 5-[2-(1-ethyl-1,4-dihydro-4-methyl-5H-tetrazol-5-ylidene)ethylidene]-3-(2-propen-1-yl)-2-thioxo-
CAS No: 24738-19-0 Catalog No: AG002P9W MDL No:
Product Description
Catalog Number:
AG002P9W
Chemical Name:
4-Thiazolidinone, 5-[2-(1-ethyl-1,4-dihydro-4-methyl-5H-tetrazol-5-ylidene)ethylidene]-3-(2-propen-1-yl)-2-thioxo-
CAS Number:
24738-19-0
Molecular Formula:
C12H15N5OS2
Molecular Weight:
309.4104
IUPAC Name:
5-[2-(1-ethyl-4-methyltetrazol-5-ylidene)ethylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H15N5OS2/c1-4-8-16-11(18)9(20-12(16)19)6-7-10-15(3)13-14-17(10)5-2/h4,6-7H,1,5,8H2,2-3H3
InChI Key:
VPLHQQNVZUTKLL-UHFFFAOYSA-N
SMILES:
C=CCN1C(=S)SC(=CC=c2n(C)nnn2CC)C1=O
EC Number:
246-443-5
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.406g/mol
Monoisotopic Mass:
309.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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