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122532-18-7 | Dodecanedithiol
CAS No: 122532-18-7 Catalog No: AG0017E1 MDL No:
Product Description
Catalog Number:
AG0017E1
Chemical Name:
Dodecanedithiol
CAS Number:
122532-18-7
Molecular Formula:
C12H26S2
Molecular Weight:
234.4648
IUPAC Name:
dodecane-1,1-dithiol
InChI:
InChI=1S/C12H26S2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h12-14H,2-11H2,1H3
InChI Key:
FKDXNKLATUKJAL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(S)S
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.148g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.46g/mol
Monoisotopic Mass:
234.148g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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