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Lactoyl-CoA
Venetoclax
Cryptolepine
10001-82-8
Cefepime Impurity A
chem960
5652-41-5
1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo- (9CI) | 5652-41-5
Product name:1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo- (9CI)
CAS No:
5652-41-5
MF:C10H16N2O3S
MW:244.31064
CID:381982
PubChem ID:
6604653
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1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo-, methyl ester, (3aS,4S,6aR)-
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Basic Information
Names and Identifiers
1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo- (9CI)
Allobiotin(8CI)
NCGC00017315-01
Allobiotin, DL-
UNII-6L08Y4AOXW
1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-
D-Biotin ,(S)
Q27166494
5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-4-yl)pentanoic acid
5-[(3aS,4S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Allobiotin
TNP00247
6L08Y4AOXW
CHEMBL1315356
CHEBI:94689
BRD-K63899271-001-01-4
SCHEMBL20547409
5652-41-5
การขยายตัว
InChIKey:YBJHBAHKTGYVGT-FJXKBIBVSA-N
Inchi:InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9+/m1/s1
SMILES:C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
Chemical and Physical Properties
Computed Properties
Exact Mass: 244.08828
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 5
Monoisotopic Mass: 244.08816355g/mol
Heavy Atom Count: 16
Complexity: 298
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 3
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
XLogP3: 0.3
Topological Polar Surface Area: 104Ų
Experimental Properties
PSA: 78.43
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