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50966-77-3 | 2-(1H-pyrrol-1-yl)-1,3-thiazole
CAS No: 50966-77-3 Catalog No: AG00INIZ MDL No:MFCD02572017
Product Description
Catalog Number:
AG00INIZ
Chemical Name:
2-(1H-pyrrol-1-yl)-1,3-thiazole
CAS Number:
50966-77-3
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
MDL Number:
MFCD02572017
IUPAC Name:
2-pyrrol-1-yl-1,3-thiazole
InChI:
InChI=1S/C7H6N2S/c1-2-5-9(4-1)7-8-3-6-10-7/h1-6H
InChI Key:
UXSYEXOXNYUQHT-UHFFFAOYSA-N
SMILES:
c1csc(n1)n1cccc1
NSC Number:
170947
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| 5''-(4-Meth-oxy-benzyl-idene)-7'-(4-meth-oxy-phen-yl)-1''-methyl-5',6',7',7a'-tetra-hydro-dispiro-[acenaphthene-1,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',3''-piperidine]-2,4''-dione. | Acta crystallographica. Section E, Structure reports online 20111201 |
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