Cas no 30868-27-0 (1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-a-methyl-2-oxo-)
![1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-a-methyl-2-oxo- structure](https://ossimg.kuujia.com/scimg/31000/30868-27-0x500.png)
30868-27-0 structure
Product Name:1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-a-methyl-2-oxo-
CAS No:30868-27-0
MF:C11H18N2O3S
MW:258.337221622467
CID:307119
PubChem ID:193131
Update Time:2025-04-19
1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-a-methyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-a-methyl-2-oxo-
- 2-methyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid
- Hexahydro-α-methyl-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid
- 415725-35-8
- 5-(2-Hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)-2-methylpentanoic acid
- 30868-27-0
- NCI60_000979
- FT-0671556
- Biotin, .alpha.-methyl-
- CHEBI:219542
- DTXSID70953054
- CHEMBL1970533
- 2-Methyl-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
- NSC145151
- 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-alpha-methyl-2-oxo-
- alpha-Methylbiotin
- NSC-145151
-
- Inchi： 1S/C11H18N2O3S/c1-6(10(14)15)3-2-4-8-9-7(5-17-8)12-11(16)13-9/h6-9H,2-5H2,1H3,(H,14,15)(H2,12,13,16)
- InChI Key： UBBSLIBPXCFHDN-UHFFFAOYSA-N
- SMILES： S1CC2C(C1CCCC(C(=O)O)C)NC(N2)=O
Computed Properties
- Exact Mass: 258.10394
- Monoisotopic Mass: 258.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 324
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.232
- Boiling Point: 562.2°C at 760 mmHg
- Flash Point: 293.8°C
- Refractive Index: 1.537
- PSA: 78.43
1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-a-methyl-2-oxo- Related Literature
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
30868-27-0 (1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-a-methyl-2-oxo-) Related Products
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