Cas no 55601-81-5 (10H-Phenothiazine, 2,7-dimethyl-)
55601-81-5 structure
Product Name:10H-Phenothiazine, 2,7-dimethyl-
CAS No:55601-81-5
MF:C14H13NS
MW:227.32472205162
CID:351428
PubChem ID:67522465
Update Time:2025-04-19
10H-Phenothiazine, 2,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 10H-Phenothiazine, 2,7-dimethyl-
- 2,7-dimethyl-10H-phenothiazine
- SCHEMBL2756476
- DTXSID30737418
- 2,7-dimethylphenothiazine
- 55601-81-5
-
- Inchi： 1S/C14H13NS/c1-9-4-6-13-12(7-9)15-11-5-3-10(2)8-14(11)16-13/h3-8,15H,1-2H3
- InChI Key： QNMVXOGCFYYMNQ-UHFFFAOYSA-N
- SMILES： S1C2C=CC(C)=CC=2NC2C=CC(C)=CC1=2
Computed Properties
- Exact Mass: 227.07699
- Monoisotopic Mass: 227.07687059g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 12.03
10H-Phenothiazine, 2,7-dimethyl- Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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