200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 30868-27-0
30868-27-0 | 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-α-methyl-2-oxo-
CAS No: 30868-27-0 Catalog No: AG0031JG MDL No:
Product Description
Catalog Number:
AG0031JG
Chemical Name:
1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-α-methyl-2-oxo-
CAS Number:
30868-27-0
Molecular Formula:
C11H18N2O3S
Molecular Weight:
258.3372
IUPAC Name:
2-methyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid
InChI:
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:
O=C1NC2C(N1)C(SC2)CCCC(C(=O)O)C
NSC Number:
145151
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.336g/mol
Monoisotopic Mass:
258.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.