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114026-53-8 | Stannane, tributyl[[[methyl(phenylmethyl)amino]thioxomethyl]thio]- (9CI)
CAS No: 114026-53-8 Catalog No: AG000ACX MDL No:
Product Description
Catalog Number:
AG000ACX
Chemical Name:
Stannane, tributyl[[[methyl(phenylmethyl)amino]thioxomethyl]thio]- (9CI)
CAS Number:
114026-53-8
Molecular Formula:
C21H37NS2Sn
Molecular Weight:
486.3562
IUPAC Name:
tributylstannyl N-benzyl-N-methylcarbamodithioate
InChI:
InChI=1S/C9H11NS2.3C4H9.Sn/c1-10(9(11)12)7-8-5-3-2-4-6-8;3*1-3-4-2;/h2-6H,7H2,1H3,(H,11,12);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChI Key:
PUSLZJORIAHUTK-UHFFFAOYSA-M
SMILES:
CCCC[Sn](SC(=S)N(Cc1ccccc1)C)(CCCC)CCCC
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.139g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.364g/mol
Monoisotopic Mass:
487.139g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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