Cas no 73590-97-3 (Ethanone, 1-(2,3-dihydro-6-methyl-2-thioxo-1H-benzimidazol-5-yl)-)
73590-97-3 structure
Product Name:Ethanone, 1-(2,3-dihydro-6-methyl-2-thioxo-1H-benzimidazol-5-yl)-
CAS No:73590-97-3
MF:C10H10N2OS
MW:206.264200687408
CID:542252
PubChem ID:19926456
Update Time:2025-04-19
Ethanone, 1-(2,3-dihydro-6-methyl-2-thioxo-1H-benzimidazol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(2,3-dihydro-6-methyl-2-thioxo-1H-benzimidazol-5-yl)-
- 1-(6-methyl-2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethanone
- 5-acetyl-6-methyl-2-mercaptobenzimidazole
- 73590-97-3
- DTXSID00601339
- SCHEMBL8314626
- KQLAYLRTDPEJBE-UHFFFAOYSA-N
- 5-acetyl-6-methyl-2-mercapto-1H-benzimidazole
- 1-(6-Methyl-2-sulfanylidene-2,3-dihydro-1H-benzimidazol-5-yl)ethan-1-one
-
- Inchi： 1S/C10H10N2OS/c1-5-3-8-9(12-10(14)11-8)4-7(5)6(2)13/h3-4H,1-2H3,(H2,11,12,14)
- InChI Key： KQLAYLRTDPEJBE-UHFFFAOYSA-N
- SMILES： S=C1NC2C=C(C(C)=O)C(C)=CC=2N1
Computed Properties
- Exact Mass: 206.05138412g/mol
- Monoisotopic Mass: 206.05138412g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 279
- 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: 1.2
- Topological Polar Surface Area: 73.2?2
Ethanone, 1-(2,3-dihydro-6-methyl-2-thioxo-1H-benzimidazol-5-yl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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