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23511-76-4 | 2-Heptanethiol, 2,4,4,6,6-pentamethyl-
CAS No: 23511-76-4 Catalog No: AG002NIE MDL No:
Product Description
Catalog Number:
AG002NIE
Chemical Name:
2-Heptanethiol, 2,4,4,6,6-pentamethyl-
CAS Number:
23511-76-4
Molecular Formula:
C12H26S
Molecular Weight:
202.3998
IUPAC Name:
2,4,4,6,6-pentamethylheptane-2-thiol
InChI:
InChI=1S/C12H26S/c1-10(2,3)8-11(4,5)9-12(6,7)13/h13H,8-9H2,1-7H3
InChI Key:
OVYGJXSSBNTCEW-UHFFFAOYSA-N
SMILES:
CC(CC(CC(S)(C)C)(C)C)(C)C
Properties
Complexity:
161
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:
4
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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