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14402-50-7 | 2-Dodecanethiol
CAS No: 14402-50-7 Catalog No: AG001ITB MDL No:
Product Description
Catalog Number:
AG001ITB
Chemical Name:
2-Dodecanethiol
CAS Number:
14402-50-7
Molecular Formula:
C12H26S
Molecular Weight:
202.3998
IUPAC Name:
dodecane-2-thiol
InChI:
InChI=1S/C12H26S/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3
InChI Key:
UROXMPKAGAWKPP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(S)C
EC Number:
238-369-7
Properties
Complexity:
91.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.176g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.4g/mol
Monoisotopic Mass:
202.176g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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