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114460-54-7 | Cyclodecanethiol
CAS No: 114460-54-7 Catalog No: AG000EG3 MDL No:
Product Description
Catalog Number:
AG000EG3
Chemical Name:
Cyclodecanethiol
CAS Number:
114460-54-7
Molecular Formula:
C10H20S
Molecular Weight:
172.3308
IUPAC Name:
cyclodecanethiol
InChI:
InChI=1S/C10H20S/c11-10-8-6-4-2-1-3-5-7-9-10/h10-11H,1-9H2
InChI Key:
LRHHDROFNGSHHB-UHFFFAOYSA-N
SMILES:
SC1CCCCCCCCC1
Properties
Complexity:
80.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.129g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.33g/mol
Monoisotopic Mass:
172.129g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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