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46815-10-5 | 2-(Ethylthio)-10H-phenothiazine
CAS No: 46815-10-5 Catalog No: AG003H88 MDL No:MFCD00191362
Product Description
Catalog Number:
AG003H88
Chemical Name:
2-(Ethylthio)-10H-phenothiazine
CAS Number:
46815-10-5
Molecular Formula:
C14H13NS2
Molecular Weight:
259.3897
MDL Number:
MFCD00191362
IUPAC Name:
2-ethylsulfanyl-10H-phenothiazine
InChI:
InChI=1S/C14H13NS2/c1-2-16-10-7-8-14-12(9-10)15-11-5-3-4-6-13(11)17-14/h3-9,15H,2H2,1H3
InChI Key:
DMHPUUIDINBWBN-UHFFFAOYSA-N
SMILES:
CCSc1ccc2c(c1)Nc1c(S2)cccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.049g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.385g/mol
Monoisotopic Mass:
259.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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