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158548-70-0 | 1,4,7-Trithiacycloundec-9-yne
CAS No: 158548-70-0 Catalog No: AG001QAE MDL No:
Product Description
Catalog Number:
AG001QAE
Chemical Name:
1,4,7-Trithiacycloundec-9-yne
CAS Number:
158548-70-0
Molecular Formula:
C8H12S3
Molecular Weight:
204.3759
IUPAC Name:
1,4,7-trithiacycloundec-9-yne
InChI:
InChI=1S/C8H12S3/c1-2-4-10-6-8-11-7-5-9-3-1/h3-8H2
InChI Key:
ZLWZHBFKOMIQOA-UHFFFAOYSA-N
SMILES:
S1CCSCC#CCSCC1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.364g/mol
Monoisotopic Mass:
204.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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