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832150-73-9 | 4-Thiazolidinone, 3-[5-(1H-tetrazol-5-yl)pentyl]-2-thioxo-
CAS No: 832150-73-9 Catalog No: AG004UM3 MDL No:
Product Description
Catalog Number:
AG004UM3
Chemical Name:
4-Thiazolidinone, 3-[5-(1H-tetrazol-5-yl)pentyl]-2-thioxo-
CAS Number:
832150-73-9
Molecular Formula:
C9H13N5OS2
Molecular Weight:
271.3624
IUPAC Name:
2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H13N5OS2/c15-8-6-17-9(16)14(8)5-3-1-2-4-7-10-12-13-11-7/h1-6H2,(H,10,11,12,13)
InChI Key:
KRRACXHBHZGKJP-UHFFFAOYSA-N
SMILES:
S=C1SCC(=O)N1CCCCCc1[nH]nnn1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.357g/mol
Monoisotopic Mass:
271.056g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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