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80867-35-2 | 3-Undecanethiol,3-methyl-
CAS No: 80867-35-2 Catalog No: AG0057C5 MDL No:
Product Description
Catalog Number:
AG0057C5
Chemical Name:
3-Undecanethiol,3-methyl-
CAS Number:
80867-35-2
Molecular Formula:
C12H26S
Molecular Weight:
202.3998
IUPAC Name:
3-methylundecane-3-thiol
InChI:
InChI=1S/C12H26S/c1-4-6-7-8-9-10-11-12(3,13)5-2/h13H,4-11H2,1-3H3
InChI Key:
HOYBEZVNIJFLHG-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(CC)(S)C
EC Number:
279-605-9
Properties
Complexity:
112
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:
8
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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