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73775-71-0 | 3-Hexanethiol,3-methyl-
CAS No: 73775-71-0 Catalog No: AG005BD2 MDL No:
Product Description
Catalog Number:
AG005BD2
Chemical Name:
3-Hexanethiol,3-methyl-
CAS Number:
73775-71-0
Molecular Formula:
C7H16S
Molecular Weight:
132.2669
IUPAC Name:
3-methylhexane-3-thiol
InChI:
InChI=1S/C7H16S/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3
InChI Key:
AAKKPKDORDWLSG-UHFFFAOYSA-N
SMILES:
CCCC(CC)(S)C
EC Number:
277-603-2
Properties
Complexity:
61.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.097g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.265g/mol
Monoisotopic Mass:
132.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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