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2090619-66-0 | 4-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde
CAS No: 2090619-66-0 Catalog No: AG01CA30 MDL No:MFCD31456652
Product Description
Catalog Number:
AG01CA30
Chemical Name:
4-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde
CAS Number:
2090619-66-0
Molecular Formula:
C8H5NOS2
Molecular Weight:
195.2614
MDL Number:
MFCD31456652
IUPAC Name:
4-(1,3-thiazol-4-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C8H5NOS2/c10-2-7-1-6(3-12-7)8-4-11-5-9-8/h1-5H
InChI Key:
BFWUJROUIUENBL-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)c1cscn1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.254g/mol
Monoisotopic Mass:
194.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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