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7643-08-5 | 2-(Methylthio)-10H-phenothiazine
CAS No: 7643-08-5 Catalog No: AG003F3D MDL No:MFCD00799974
Product Description
Catalog Number:
AG003F3D
Chemical Name:
2-(Methylthio)-10H-phenothiazine
CAS Number:
7643-08-5
Molecular Formula:
C13H11NS2
Molecular Weight:
245.3631
MDL Number:
MFCD00799974
IUPAC Name:
2-methylsulfanyl-10H-phenothiazine
InChI:
InChI=1S/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
InChI Key:
OBVKBOLDEFIQDP-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)Nc1c(S2)cccc1
EC Number:
231-581-0
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.358g/mol
Monoisotopic Mass:
245.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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