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100989-78-4 | 2-Decanethiol, 2-methyl-
CAS No: 100989-78-4 Catalog No: AG0003DH MDL No:
Product Description
Catalog Number:
AG0003DH
Chemical Name:
2-Decanethiol, 2-methyl-
CAS Number:
100989-78-4
Molecular Formula:
C11H24S
Molecular Weight:
188.3733
IUPAC Name:
2-methyldecane-2-thiol
InChI:
InChI=1S/C11H24S/c1-4-5-6-7-8-9-10-11(2,3)12/h12H,4-10H2,1-3H3
InChI Key:
GQURPOZJWORWAM-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(S)(C)C
Properties
Complexity:
97.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.16g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.373g/mol
Monoisotopic Mass:
188.16g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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