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Home > Imidazoles > 133694-29-8
133694-29-8 | 1H-Thieno[3,4-d]imidazole, 2-butyl-
CAS No: 133694-29-8 Catalog No: AG00725Q MDL No:
Product Description
Catalog Number:
AG00725Q
Chemical Name:
1H-Thieno[3,4-d]imidazole, 2-butyl-
CAS Number:
133694-29-8
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
IUPAC Name:
2-butyl-1H-thieno[3,4-d]imidazole
InChI:
InChI=1S/C9H12N2S/c1-2-3-4-9-10-7-5-12-6-8(7)11-9/h5-6H,2-4H2,1H3,(H,10,11)
InChI Key:
RDRLRVAXWGZVMC-UHFFFAOYSA-N
SMILES:
CCCCc1[nH]c2c(n1)csc2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.269g/mol
Monoisotopic Mass:
180.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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