Cas no 110129-24-3 (Dibenzo[c,e]thiepin-5-carboxamide,5,7-dihydro-N-methyl-, 6,6-dioxide)
110129-24-3 structure
Product Name:Dibenzo[c,e]thiepin-5-carboxamide,5,7-dihydro-N-methyl-, 6,6-dioxide
CAS No:110129-24-3
MF:C16H15NO3S
MW:301.360203027725
CID:189732
PubChem ID:3066354
Update Time:2025-04-19
Dibenzo[c,e]thiepin-5-carboxamide,5,7-dihydro-N-methyl-, 6,6-dioxide Chemical and Physical Properties
Names and Identifiers
-
- Dibenzo[c,e]thiepin-5-carboxamide,5,7-dihydro-N-methyl-, 6,6-dioxide
- N-methyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide
- AC1MIBM5
- ACMC-20mcye
- AG-D-27368
- BRN 4501361
- CTK4A6789
- Dibenzo(c,e)thiepin-5-carboxamide, 5,7-dihydro-N-methyl-, 6,6-dioxide
- N-Methyl-6,6-dioxido-5,7-dihydrodibenzo(c,e)thiepin-5-carboxamide
- N-methyl-6,6-dioxido-5,7-dihydrodibenzo[c,e]thiepin-5-carboxamide
- N-methyl-6,6-dioxido-5,7-dihydrodibenzo< c,e> thiepin-5-carboxamide
- Oprea1_211296
- 110129-24-3
- DTXSID20911503
- N-Methyl-6,6-dioxo-6,7-dihydro-5H-6lambda~6~-dibenzo[c,e]thiepine-5-carboximidic acid
-
- Inchi: 1S/C16H15NO3S/c1-17-16(18)15-14-9-5-4-8-13(14)12-7-3-2-6-11(12)10-21(15,19)20/h2-9,15H,10H2,1H3,(H,17,18)
- InChI Key: MSOSRGKXOUYZDF-UHFFFAOYSA-N
- SMILES: S1(CC2C=CC=CC=2C2C=CC=CC=2C1C(NC)=O)(=O)=O
Computed Properties
- Exact Mass: 301.07735
- Monoisotopic Mass: 301.077264
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 496
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 71.6
- XLogP3: 2.4
Experimental Properties
- Density: 1.307
- Boiling Point: 663.7°C at 760 mmHg
- Flash Point: 355.2°C
- Refractive Index: 1.615
- PSA: 63.24
- LogP: 3.99020
Dibenzo[c,e]thiepin-5-carboxamide,5,7-dihydro-N-methyl-, 6,6-dioxide Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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