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7678-79-7 | 10H-Phenothiazine, 3-(1,1-dimethylethyl)-
CAS No: 7678-79-7 Catalog No: AG008PD2 MDL No:
Product Description
Catalog Number:
AG008PD2
Chemical Name:
10H-Phenothiazine, 3-(1,1-dimethylethyl)-
CAS Number:
7678-79-7
Molecular Formula:
C16H17NS
Molecular Weight:
255.3779
IUPAC Name:
3-tert-butyl-10H-phenothiazine
InChI:
InChI=1S/C16H17NS/c1-16(2,3)11-8-9-13-15(10-11)18-14-7-5-4-6-12(14)17-13/h4-10,17H,1-3H3
InChI Key:
PAWLMNZZDMBOOL-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)Sc1c(N2)cccc1)(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.379g/mol
Monoisotopic Mass:
255.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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