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913836-20-1 | 1,1,3-TRIOXO-TETRAHYDRO-2H-1,2-THIAZINE
CAS No: 913836-20-1 Catalog No: AG00GTD4 MDL No:MFCD08689509
Product Description
Catalog Number:
AG00GTD4
Chemical Name:
1,1,3-TRIOXO-TETRAHYDRO-2H-1,2-THIAZINE
CAS Number:
913836-20-1
Molecular Formula:
C4H7NO3S
Molecular Weight:
149.1683
MDL Number:
MFCD08689509
IUPAC Name:
1,1-dioxothiazinan-3-one
InChI:
InChI=1S/C4H7NO3S/c6-4-2-1-3-9(7,8)5-4/h1-3H2,(H,5,6)
InChI Key:
PBILQPVGEGXWKT-UHFFFAOYSA-N
SMILES:
O=C1CCCS(=O)(=O)N1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.015g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.164g/mol
Monoisotopic Mass:
149.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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