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847976-84-5 | Tropine-3-xanthate
CAS No: 847976-84-5 Catalog No: AG004RF5 MDL No:
Product Description
Catalog Number:
AG004RF5
Chemical Name:
Tropine-3-xanthate
CAS Number:
847976-84-5
Molecular Formula:
C11H19NOS2
Molecular Weight:
245.4047
IUPAC Name:
O-ethyl (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfanylmethanethioate
InChI:
InChI=1S/C11H19NOS2/c1-3-13-11(14)15-10-6-8-4-5-9(7-10)12(8)2/h8-10H,3-7H2,1-2H3
InChI Key:
XUCGHOCISQUNKF-UHFFFAOYSA-N
SMILES:
CCOC(=S)SC1CC2CCC(C1)N2C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.399g/mol
Monoisotopic Mass:
245.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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