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21025-18-3 | 3-ethyl-5-[1-methyl-2-(3-methylthiazolidin-2-ylidene)ethylidene]rhodanine
CAS No: 21025-18-3 Catalog No: AG00BQE1 MDL No:
Product Description
Catalog Number:
AG00BQE1
Chemical Name:
3-ethyl-5-[1-methyl-2-(3-methylthiazolidin-2-ylidene)ethylidene]rhodanine
CAS Number:
21025-18-3
IUPAC Name:
3-ethyl-5-[1-(3-methyl-1,3-thiazolidin-2-ylidene)propan-2-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H16N2OS3/c1-4-14-11(15)10(18-12(14)16)8(2)7-9-13(3)5-6-17-9/h7H,4-6H2,1-3H3
InChI Key:
LOQHVCVQRNEXDJ-UHFFFAOYSA-N
EC Number:
244-152-8
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.453g/mol
Monoisotopic Mass:
300.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.4
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