Cas no 21339-66-2 ( )
structure
Product Name:
CAS No:21339-66-2
MF:C15H12OS
MW:240.320182800293
CID:883679
PubChem ID:272706
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1,4-dimethyldibenzothiophene-2-carbaldehyde
- 1,4-dimethyldibenzo[b,d]thiophene-2-carbaldehyde
- AC1L6S61
- AC1Q6QBU
- AG-J-60553
- AR-1B7834
- CTK4E6535
- KST-1B1717
- NSC117363
- NSC-117363
-
-
- Inchi： 1S/C15H12OS/c1-9-7-11(8-16)10(2)14-12-5-3-4-6-13(12)17-15(9)14/h3-8H,1-2H3
- InChI Key： XQJKKQKGRYUDDQ-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C2C(C)=C(C=O)C=C(C)C1=2
Computed Properties
- Exact Mass: 240.06096
- Monoisotopic Mass: 240.06088618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 303
- 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: 4.5
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
- LogP: 4.48380
Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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