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4320-13-2 | Thiazinamium chloride
CAS No: 4320-13-2 Catalog No: AG00DZJS MDL No:
Product Description
Catalog Number:
AG00DZJS
Chemical Name:
Thiazinamium chloride
CAS Number:
4320-13-2
Molecular Formula:
C18H23ClN2S
Molecular Weight:
334.9066
IUPAC Name:
trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium;chloride
InChI:
InChI=1S/C18H23N2S.ClH/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;/h5-12,14H,13H2,1-4H3;1H/q+1;/p-1
InChI Key:
NGYRQLDJZVHTFE-UHFFFAOYSA-M
SMILES:
CC([N+](C)(C)C)CN1c2ccccc2Sc2c1cccc2.[Cl-]
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.906g/mol
Monoisotopic Mass:
334.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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