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13153-11-2 | Thietane, 1-oxide
CAS No: 13153-11-2 Catalog No: AG000ZCW MDL No:
Product Description
Catalog Number:
AG000ZCW
Chemical Name:
Thietane, 1-oxide
CAS Number:
13153-11-2
Molecular Formula:
C3H6OS
Molecular Weight:
90.1441
IUPAC Name:
thietane 1-oxide
InChI:
InChI=1S/C3H6OS/c4-5-2-1-3-5/h1-3H2
InChI Key:
GINSRDSEEGBTJO-UHFFFAOYSA-N
SMILES:
O=S1CCC1
UNII:
2TZH7KB8N8
NSC Number:
244321
Properties
Complexity:
53.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
90.014g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
90.14g/mol
Monoisotopic Mass:
90.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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