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72332-79-7 | 2H-Pyrrolo[2,3-d]thiazole(9CI)
CAS No: 72332-79-7 Catalog No: AG0067FJ MDL No:
Product Description
Catalog Number:
AG0067FJ
Chemical Name:
2H-Pyrrolo[2,3-d]thiazole(9CI)
CAS Number:
72332-79-7
Molecular Formula:
C5H4N2S
Molecular Weight:
124.1637
IUPAC Name:
2H-pyrrolo[2,3-d][1,3]thiazole
InChI:
InChI=1S/C5H4N2S/c1-2-6-5-4(1)8-3-7-5/h1-2H,3H2
InChI Key:
GBJCWBWQIQXFLH-UHFFFAOYSA-N
SMILES:
C1SC2=CC=NC2=N1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.01g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.161g/mol
Monoisotopic Mass:
124.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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