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115227-75-3 | Thiacycloundeca-3,9-diyne
CAS No: 115227-75-3 Catalog No: AG000GGQ MDL No:
Product Description
Catalog Number:
AG000GGQ
Chemical Name:
Thiacycloundeca-3,9-diyne
CAS Number:
115227-75-3
Molecular Formula:
C10H12S
Molecular Weight:
164.2673
IUPAC Name:
1-thiacycloundeca-3,9-diyne
InChI:
InChI=1S/C10H12S/c1-2-4-6-8-10-11-9-7-5-3-1/h1-4,9-10H2
InChI Key:
NLZCDNIYWVWIBV-UHFFFAOYSA-N
SMILES:
C1CCC#CCSCC#CC1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.266g/mol
Monoisotopic Mass:
164.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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