Cas no 52083-11-1 ( )
structure
Product Name:
CAS No:52083-11-1
MF:C12H6O3S
MW:230.239242076874
CID:936341
PubChem ID:305187
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- NSC201939; AC1L76F8; NSC-201939; 6-sulfanyl-1H,3H-benzo[de]isochromene-1,3-dione;
- 4-mercapto-1,8-naphthalic anhydride
- 52083-11-1
- SCHEMBL6291116
- NSC201939
- NSC-201939
- 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-mercapto-
- 6-Sulfanyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
- DTXSID40308077
- 6-mercapto-1H,3H-benzo[de]isochromene-1,3-dione
-
-
- Inchi： 1S/C12H6O3S/c13-11-7-3-1-2-6-9(16)5-4-8(10(6)7)12(14)15-11/h1-5,16H
- InChI Key： PQVNEWCHEGZDPV-UHFFFAOYSA-N
- SMILES： SC1=CC=C2C(=O)OC(C3C=CC=C1C2=3)=O
Computed Properties
- Exact Mass: 230.00378
- Monoisotopic Mass: 230.00376522g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 341
- 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: 2.7
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- PSA: 43.37
- LogP: 2.43910
Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
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
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