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81770-76-5 | 1,4-Dithiaspiro[4.5]dec-6-ene, 7-bromo-
CAS No: 81770-76-5 Catalog No: AG005I29 MDL No:
Product Description
Catalog Number:
AG005I29
Chemical Name:
1,4-Dithiaspiro[4.5]dec-6-ene, 7-bromo-
CAS Number:
81770-76-5
Molecular Formula:
C8H11BrS2
Molecular Weight:
251.2069
IUPAC Name:
7-bromo-1,4-dithiaspiro[4.5]dec-6-ene
InChI:
InChI=1S/C8H11BrS2/c9-7-2-1-3-8(6-7)10-4-5-11-8/h6H,1-5H2
InChI Key:
VGSBAAQKWASGBD-UHFFFAOYSA-N
SMILES:
BrC1=CC2(CCC1)SCCS2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.2g/mol
Monoisotopic Mass:
249.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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