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89733-07-3 | 10H-Phenothiazine, 7-fluoro-2-(methylthio)-
CAS No: 89733-07-3 Catalog No: AG0041SN MDL No:
Product Description
Catalog Number:
AG0041SN
Chemical Name:
10H-Phenothiazine, 7-fluoro-2-(methylthio)-
CAS Number:
89733-07-3
Molecular Formula:
C13H10FNS2
Molecular Weight:
263.3536
IUPAC Name:
7-fluoro-2-methylsulfanyl-10H-phenothiazine
InChI:
InChI=1S/C13H10FNS2/c1-16-9-3-5-12-11(7-9)15-10-4-2-8(14)6-13(10)17-12/h2-7,15H,1H3
InChI Key:
LNYOMRSIJXKTQD-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)Nc1c(S2)cc(cc1)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.348g/mol
Monoisotopic Mass:
263.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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