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37004-72-1 | 1H-Phenothiazine, 2,3,4,10-tetrahydro-, 5-oxide
CAS No: 37004-72-1 Catalog No: AG007CGP MDL No:
Product Description
Catalog Number:
AG007CGP
Chemical Name:
1H-Phenothiazine, 2,3,4,10-tetrahydro-, 5-oxide
CAS Number:
37004-72-1
Molecular Formula:
C12H13NOS
Molecular Weight:
219.3027
IUPAC Name:
2,3,4,10-tetrahydro-1H-phenothiazine 5-oxide
InChI:
InChI=1S/C12H13NOS/c14-15-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)15/h1,3,5,7,13H,2,4,6,8H2
InChI Key:
LABQDNMSNXSEDM-UHFFFAOYSA-N
SMILES:
O=S1C2=C(CCCC2)Nc2c1cccc2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.302g/mol
Monoisotopic Mass:
219.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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