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1455-21-6 | 1-Nonanethiol
CAS No: 1455-21-6 Catalog No: AG001D4E MDL No:MFCD00004913
Product Description
Catalog Number:
AG001D4E
Chemical Name:
1-Nonanethiol
CAS Number:
1455-21-6
Molecular Formula:
C9H20S
Molecular Weight:
160.3201
MDL Number:
MFCD00004913
IUPAC Name:
nonane-1-thiol
InChI:
InChI=1S/C9H20S/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3
InChI Key:
ZVEZMVFBMOOHAT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCS
EC Number:
215-936-7
UNII:
39LG2ETV2J
NSC Number:
5563
Properties
Complexity:
52.7
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:
7
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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