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24075-57-8 | 3-[[5-[3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene]-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl]thio]propionic acid
CAS No: 24075-57-8 Catalog No: AG00BKKJ MDL No:
Product Description
Catalog Number:
AG00BKKJ
Chemical Name:
3-[[5-[3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene]-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl]thio]propionic acid
CAS Number:
24075-57-8
IUPAC Name:
3-[[4-methyl-5-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
InChI:
InChI=1S/C12H13N3O3S4/c1-3-5-15-9(18)8(21-12(15)19)10-14(2)13-11(22-10)20-6-4-7(16)17/h3H,1,4-6H2,2H3,(H,16,17)
InChI Key:
BWPACKUSUFELQM-UHFFFAOYSA-N
EC Number:
246-007-4
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.984g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.494g/mol
Monoisotopic Mass:
374.984g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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