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72332-80-0 | 2H-Pyrrolo[3,4-d]thiazole(9CI)
CAS No: 72332-80-0 Catalog No: AG005U7R MDL No:MFCD18815149
Product Description
Catalog Number:
AG005U7R
Chemical Name:
2H-Pyrrolo[3,4-d]thiazole(9CI)
CAS Number:
72332-80-0
Molecular Formula:
C5H4N2S
Molecular Weight:
124.1637
MDL Number:
MFCD18815149
IUPAC Name:
2H-pyrrolo[3,4-d][1,3]thiazole
InChI:
InChI=1S/C5H4N2S/c1-4-5(2-6-1)8-3-7-4/h1-2H,3H2
InChI Key:
DVMACYXGEXJBGS-UHFFFAOYSA-N
SMILES:
N1=CC2=NCSC2=C1
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:
3
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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