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1633-97-2 | 2-Pentanethiol, 2-methyl-
CAS No: 1633-97-2 Catalog No: AG001U07 MDL No:MFCD02683780
Product Description
Catalog Number:
AG001U07
Chemical Name:
2-Pentanethiol, 2-methyl-
CAS Number:
1633-97-2
Molecular Formula:
C6H14S
Molecular Weight:
118.2404
MDL Number:
MFCD02683780
IUPAC Name:
2-methylpentane-2-thiol
InChI:
InChI=1S/C6H14S/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3
InChI Key:
ISUXQQTXICTKOV-UHFFFAOYSA-N
SMILES:
CCCC(S)(C)C
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.082g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
118.238g/mol
Monoisotopic Mass:
118.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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