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86254-66-2 | 2-Propen-1-ol, 3-[(1,1-dimethylethyl)thio]-, (Z)-
CAS No: 86254-66-2 Catalog No: AG004S21 MDL No:
Product Description
Catalog Number:
AG004S21
Chemical Name:
2-Propen-1-ol, 3-[(1,1-dimethylethyl)thio]-, (Z)-
CAS Number:
86254-66-2
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
IUPAC Name:
3-tert-butylsulfanylprop-2-en-1-ol
InChI:
InChI=1S/C7H14OS/c1-7(2,3)9-6-4-5-8/h4,6,8H,5H2,1-3H3
InChI Key:
VZVJTTKQWKCXCG-UHFFFAOYSA-N
SMILES:
OC/C=C\SC(C)(C)C
Properties
Complexity:
91.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.077g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.248g/mol
Monoisotopic Mass:
146.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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