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27612-10-8 | 10H-Phenothiazine, 2-(methylsulfinyl)-
CAS No: 27612-10-8 Catalog No: AG002U89 MDL No:
Product Description
Catalog Number:
AG002U89
Chemical Name:
10H-Phenothiazine, 2-(methylsulfinyl)-
CAS Number:
27612-10-8
Molecular Formula:
C13H11NOS2
Molecular Weight:
261.3625
IUPAC Name:
2-methylsulfinyl-10H-phenothiazine
InChI:
InChI=1S/C13H11NOS2/c1-17(15)9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
InChI Key:
PKTNJPQVNOFHLC-UHFFFAOYSA-N
SMILES:
CS(=O)c1ccc2c(c1)Nc1c(S2)cccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.357g/mol
Monoisotopic Mass:
261.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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