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114463-35-3 | 1-Butanol, 3-(ethylthio)-3-methyl-
CAS No: 114463-35-3 Catalog No: AG000EGW MDL No:
Product Description
Catalog Number:
AG000EGW
Chemical Name:
1-Butanol, 3-(ethylthio)-3-methyl-
CAS Number:
114463-35-3
Molecular Formula:
C7H16OS
Molecular Weight:
148.2663
IUPAC Name:
3-ethylsulfanyl-3-methylbutan-1-ol
InChI:
InChI=1S/C7H16OS/c1-4-9-7(2,3)5-6-8/h8H,4-6H2,1-3H3
InChI Key:
PELMWLKNVFVOBH-UHFFFAOYSA-N
SMILES:
OCCC(SCC)(C)C
Properties
Complexity:
71.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.092g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.264g/mol
Monoisotopic Mass:
148.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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