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20628-59-5 | 1,3-dioxolane-2-thione
CAS No: 20628-59-5 Catalog No: AG002IFK MDL No:
Product Description
Catalog Number:
AG002IFK
Chemical Name:
1,3-dioxolane-2-thione
CAS Number:
20628-59-5
Molecular Formula:
C3H4O2S
Molecular Weight:
104.1277
IUPAC Name:
1,3-dioxolane-2-thione
InChI:
InChI=1S/C3H4O2S/c6-3-4-1-2-5-3/h1-2H2
InChI Key:
NLLOEPZYASPYON-UHFFFAOYSA-N
SMILES:
S=C1OCCO1
NSC Number:
244323
Properties
Complexity:
63.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.993g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.123g/mol
Monoisotopic Mass:
103.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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