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14947-48-9 | 1,3-Dithiane-2-ethanol
CAS No: 14947-48-9 Catalog No: AG001LQH MDL No:
Product Description
Catalog Number:
AG001LQH
Chemical Name:
1,3-Dithiane-2-ethanol
CAS Number:
14947-48-9
Molecular Formula:
C6H12OS2
Molecular Weight:
164.2889
IUPAC Name:
2-(1,3-dithian-2-yl)ethanol
InChI:
InChI=1S/C6H12OS2/c7-3-2-6-8-4-1-5-9-6/h6-7H,1-5H2
InChI Key:
YBACVTHKZMQAJF-UHFFFAOYSA-N
SMILES:
OCCC1SCCCS1
Properties
Complexity:
71.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.281g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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