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13281-11-3 | 2-Nonanethiol
CAS No: 13281-11-3 Catalog No: AG001184 MDL No:
Product Description
Catalog Number:
AG001184
Chemical Name:
2-Nonanethiol
CAS Number:
13281-11-3
Molecular Formula:
C9H20S
Molecular Weight:
160.3201
IUPAC Name:
nonane-2-thiol
InChI:
InChI=1S/C9H20S/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3
InChI Key:
UOMSUBPWUZCGQU-UHFFFAOYSA-N
SMILES:
CCCCCCCC(S)C
Properties
Complexity:
61.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.129g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.319g/mol
Monoisotopic Mass:
160.129g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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