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1120-66-7 | 1,4,2-Oxathiazine
CAS No: 1120-66-7 Catalog No: AG007CHR MDL No:MFCD22054314
Product Description
Catalog Number:
AG007CHR
Chemical Name:
1,4,2-Oxathiazine
CAS Number:
1120-66-7
Molecular Formula:
C3H3NOS
Molecular Weight:
101.1270
MDL Number:
MFCD22054314
IUPAC Name:
1,4,2-oxathiazine
InChI:
InChI=1S/C3H3NOS/c1-2-6-3-4-5-1/h1-3H
InChI Key:
FMYSHKHSQFXYRS-UHFFFAOYSA-N
SMILES:
O1C=CSC=N1
Properties
Complexity:
88.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.994g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
101.123g/mol
Monoisotopic Mass:
100.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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