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298699-45-3 | 4H-Pyrrolo[2,3-d]thiazole
CAS No: 298699-45-3 Catalog No: AG00BU12 MDL No:MFCD18820329
Product Description
Catalog Number:
AG00BU12
Chemical Name:
4H-Pyrrolo[2,3-d]thiazole
CAS Number:
298699-45-3
Molecular Formula:
C5H4N2S
Molecular Weight:
124.1637
MDL Number:
MFCD18820329
IUPAC Name:
4H-pyrrolo[2,3-d][1,3]thiazole
InChI:
InChI=1S/C5H4N2S/c1-2-6-5-4(1)8-3-7-5/h1-3,6H
InChI Key:
KFKYBWHCKOWCIS-UHFFFAOYSA-N
SMILES:
c1sc2c(n1)[nH]cc2
Properties
Complexity:
96.4
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:
1
Isotope Atom Count:
0
Molecular Weight:
124.161g/mol
Monoisotopic Mass:
124.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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