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841262-46-2 | 2-Butanethiol, 4-ethoxy-2-methyl-
CAS No: 841262-46-2 Catalog No: AG004ZJ9 MDL No:
Product Description
Catalog Number:
AG004ZJ9
Chemical Name:
2-Butanethiol, 4-ethoxy-2-methyl-
CAS Number:
841262-46-2
Molecular Formula:
C7H16OS
Molecular Weight:
148.2663
IUPAC Name:
4-ethoxy-2-methylbutane-2-thiol
InChI:
InChI=1S/C7H16OS/c1-4-8-6-5-7(2,3)9/h9H,4-6H2,1-3H3
InChI Key:
LBLXBOOUKUTZJE-UHFFFAOYSA-N
SMILES:
CCOCCC(S)(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:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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