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1633-79-0 | 1-Pentanol, 5-mercapto-
CAS No: 1633-79-0 Catalog No: AG001U0C MDL No:
Product Description
Catalog Number:
AG001U0C
Chemical Name:
1-Pentanol, 5-mercapto-
CAS Number:
1633-79-0
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
IUPAC Name:
5-sulfanylpentan-1-ol
InChI:
InChI=1S/C5H12OS/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChI Key:
OKUJJVAASUSBCG-UHFFFAOYSA-N
SMILES:
OCCCCCS
Properties
Complexity:
31.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.061g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
120.21g/mol
Monoisotopic Mass:
120.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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