Cas no 34460-42-9 (Phenothiazin-5-ium,3-amino-7-(methylamino)-, chloride, N-methyl deriv. (9CI))
34460-42-9 structure
Product Name:Phenothiazin-5-ium,3-amino-7-(methylamino)-, chloride, N-methyl deriv. (9CI)
CAS No:34460-42-9
MF:C14H14ClN3S
MW:291.799060344696
CID:321323
PubChem ID:135824755
Update Time:2025-04-19
Phenothiazin-5-ium,3-amino-7-(methylamino)-, chloride, N-methyl deriv. (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Phenothiazin-5-ium,3-amino-7-(methylamino)-, chloride, N-methyl deriv. (9CI)
- methyl-[7-(methylamino)phenothiazin-3-ylidene]azanium,chloride
- 34185-21-2
- 34460-42-9
- GBS6Y9K8MA
- Phenothiazin-5-ium, 3,7-bis(methylamino)-, chloride (1:1)
- Symmetrical dimethyl thionine
- 3,7-Bis(methylamino)phenothiazin-5-ium chloride
- Sym-dimethylthionine
- SCHEMBL7229751
- Phenothiazin-5-ium, 3-amino-7-(methylamino)-, chloride, N-methyl deriv.
- UNII-GBS6Y9K8MA
- Phenothiazin-5-ium, 3,7-bis(methylamino)-, chloride
-
- Inchi： 1S/C14H13N3S.ClH/c1-15-9-3-5-11-13(7-9)18-14-8-10(16-2)4-6-12(14)17-11;/h3-8,15H,1-2H3;1H/b16-10+;
- InChI Key： OGTRWHSHINGWEV-QFHYWFJHSA-N
- SMILES： [Cl-].S1C2=C/C(/C=CC2=[NH+]C2C=CC(=CC1=2)NC)=N/C
Computed Properties
- Exact Mass: 291.0596963g/mol
- Monoisotopic Mass: 291.0596963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 462
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.7?2
Phenothiazin-5-ium,3-amino-7-(methylamino)-, chloride, N-methyl deriv. (9CI) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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