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83838-27-1 | 10H-Phenothiazine, 1-ethyl-
CAS No: 83838-27-1 Catalog No: AG004S65 MDL No:
Product Description
Catalog Number:
AG004S65
Chemical Name:
10H-Phenothiazine, 1-ethyl-
CAS Number:
83838-27-1
Molecular Formula:
C14H13NS
Molecular Weight:
227.3247
IUPAC Name:
1-ethyl-10H-phenothiazine
InChI:
InChI=1S/C14H13NS/c1-2-10-6-5-9-13-14(10)15-11-7-3-4-8-12(11)16-13/h3-9,15H,2H2,1H3
InChI Key:
VTRJBCXAWFGCBV-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1Nc1ccccc1S2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.325g/mol
Monoisotopic Mass:
227.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Nitrogen substituted phenothiazine derivatives: modelling of molecular self-assembling. | International journal of molecular sciences 20110101 |
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