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117013-33-9 | 1-Butanol, 3-(ethylthio)-
CAS No: 117013-33-9 Catalog No: AG000DJQ MDL No:
Product Description
Catalog Number:
AG000DJQ
Chemical Name:
1-Butanol, 3-(ethylthio)-
CAS Number:
117013-33-9
Molecular Formula:
C6H14OS
Molecular Weight:
134.2398
IUPAC Name:
3-ethylsulfanylbutan-1-ol
InChI:
InChI=1S/C6H14OS/c1-3-8-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChI Key:
RNFXBUGJWZOUJT-UHFFFAOYSA-N
SMILES:
OCCC(SCC)C
FEMA Number:
4282
Properties
Complexity:
47.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.077g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.237g/mol
Monoisotopic Mass:
134.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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