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101033-09-4 | 2-Pentanone, 5-(1,3-dithian-2-yl)-
CAS No: 101033-09-4 Catalog No: AG0003L7 MDL No:
Product Description
Catalog Number:
AG0003L7
Chemical Name:
2-Pentanone, 5-(1,3-dithian-2-yl)-
CAS Number:
101033-09-4
Molecular Formula:
C9H16OS2
Molecular Weight:
204.3527
IUPAC Name:
5-(1,3-dithian-2-yl)pentan-2-one
InChI:
InChI=1S/C9H16OS2/c1-8(10)4-2-5-9-11-6-3-7-12-9/h9H,2-7H2,1H3
InChI Key:
AAFCLZOCTVXBMG-UHFFFAOYSA-N
SMILES:
CC(=O)CCCC1SCCCS1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.346g/mol
Monoisotopic Mass:
204.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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