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21788-37-4 | 1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo-, (3aR,4R,6aS)-
CAS No: 21788-37-4 Catalog No: AG006ZA0 MDL No:
Product Description
Catalog Number:
AG006ZA0
Chemical Name:
1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo-, (3aR,4R,6aS)-
CAS Number:
21788-37-4
Molecular Formula:
C10H16N2O3S
Molecular Weight:
244.3106
IUPAC Name:
5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
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
InChI Key:
YBJHBAHKTGYVGT-ZXFLCMHBSA-N
SMILES:
OC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
244.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.309g/mol
Monoisotopic Mass:
244.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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