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158399-18-9 | 1-Dodecanethiol, 12-amino-
CAS No: 158399-18-9 Catalog No: AG001Q67 MDL No:
Product Description
Catalog Number:
AG001Q67
Chemical Name:
1-Dodecanethiol, 12-amino-
CAS Number:
158399-18-9
Molecular Formula:
C12H27NS
Molecular Weight:
217.4145
IUPAC Name:
12-aminododecane-1-thiol
InChI:
InChI=1S/C12H27NS/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-13H2
InChI Key:
ABTIMEICYOAQFA-UHFFFAOYSA-N
SMILES:
NCCCCCCCCCCCCS
Properties
Complexity:
96.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.186g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.415g/mol
Monoisotopic Mass:
217.186g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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