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7117-41-1 | thiirane 1-oxide
CAS No: 7117-41-1 Catalog No: AG005KLF MDL No:
Product Description
Catalog Number:
AG005KLF
Chemical Name:
thiirane 1-oxide
CAS Number:
7117-41-1
Molecular Formula:
C2H4OS
Molecular Weight:
76.1176
IUPAC Name:
thiirane 1-oxide
InChI:
InChI=1S/C2H4OS/c3-4-1-2-4/h1-2H2
InChI Key:
PCYCVCFVEKMHGA-UHFFFAOYSA-N
SMILES:
O=S1CC1
Properties
Complexity:
44
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
75.998g/mol
Formal Charge:
0
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
76.113g/mol
Monoisotopic Mass:
75.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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