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73791-36-3 | butyltin; 2-(5-methoxy-5-oxo-pentanoyl)oxyethanethiolate
CAS No: 73791-36-3 Catalog No: AG005BCI MDL No:
Product Description
Catalog Number:
AG005BCI
Chemical Name:
butyltin; 2-(5-methoxy-5-oxo-pentanoyl)oxyethanethiolate
CAS Number:
73791-36-3
Molecular Formula:
C28H48O12S3Sn
Molecular Weight:
791.5695
IUPAC Name:
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)morpholine-4-carbothioamide
InChI:
InChI=1S/C16H20N4O2S/c1-12-14(17-16(23)19-8-10-22-11-9-19)15(21)20(18(12)2)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,17,23)
InChI Key:
QCTFIPXPNUSWCO-UHFFFAOYSA-N
SMILES:
[S-]CCOC(=O)CCCC(=O)OC.[S-]CCOC(=O)CCCC(=O)OC.[S-]CCOC(=O)CCCC(=O)OC.CCCC[Sn+3]
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.422g/mol
Monoisotopic Mass:
332.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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