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Home > Imidazoles > 184633-86-1
184633-86-1 | 5H-Pyrrolo[1,2-a]imidazole-6-thiol, 6,7-dihydro-, (S)-
CAS No: 184633-86-1 Catalog No: AG007535 MDL No:
Product Description
Catalog Number:
AG007535
Chemical Name:
5H-Pyrrolo[1,2-a]imidazole-6-thiol, 6,7-dihydro-, (S)-
CAS Number:
184633-86-1
Molecular Formula:
C6H8N2S
Molecular Weight:
140.2061
IUPAC Name:
(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-thiol
InChI:
InChI=1S/C6H8N2S/c9-5-3-6-7-1-2-8(6)4-5/h1-2,5,9H,3-4H2/t5-/m0/s1
InChI Key:
SVGHIJCMRDZNCP-YFKPBYRVSA-N
SMILES:
S[C@@H]1Cn2c(C1)ncc2
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
140.041g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.204g/mol
Monoisotopic Mass:
140.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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