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189044-49-3 | 1,3-Dithiolane-2-propanal
CAS No: 189044-49-3 Catalog No: AG002HRU MDL No:
Product Description
Catalog Number:
AG002HRU
Chemical Name:
1,3-Dithiolane-2-propanal
CAS Number:
189044-49-3
Molecular Formula:
C6H10OS2
Molecular Weight:
162.2730
IUPAC Name:
3-(1,3-dithiolan-2-yl)propanal
InChI:
InChI=1S/C6H10OS2/c7-3-1-2-6-8-4-5-9-6/h3,6H,1-2,4-5H2
InChI Key:
OIPBVOVZVMQXPR-UHFFFAOYSA-N
SMILES:
O=CCCC1SCCS1
Properties
Complexity:
89.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.017g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.265g/mol
Monoisotopic Mass:
162.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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