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260053-86-9 | 4H-Pyrrolo[1,2-a]thieno[3,2-d]imidazole (9CI)
CAS No: 260053-86-9 Catalog No: AG002RCX MDL No:
Product Description
Catalog Number:
AG002RCX
Chemical Name:
4H-Pyrrolo[1,2-a]thieno[3,2-d]imidazole (9CI)
CAS Number:
260053-86-9
Molecular Formula:
C8H6N2S
Molecular Weight:
162.2116
IUPAC Name:
3-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),4,8,10-tetraene
InChI:
InChI=1S/C8H6N2S/c1-2-7-9-6-3-5-11-8(6)10(7)4-1/h1-5,9H
InChI Key:
NSACDCPGEKLKKZ-UHFFFAOYSA-N
SMILES:
c1cc2n(c1)c1c([nH]2)ccs1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.21g/mol
Monoisotopic Mass:
162.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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