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Home > Thiazole > 1210870-19-1
1210870-19-1 | 1-[2-(thiophen-2-yl)-1,3-thiazol-5-yl]ethan-1-one
CAS No: 1210870-19-1 Catalog No: AG00IR5Q MDL No:MFCD16170357
Product Description
Catalog Number:
AG00IR5Q
Chemical Name:
1-[2-(thiophen-2-yl)-1,3-thiazol-5-yl]ethan-1-one
CAS Number:
1210870-19-1
Molecular Formula:
C9H7NOS2
Molecular Weight:
209.2880
MDL Number:
MFCD16170357
IUPAC Name:
1-(2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
InChI:
InChI=1S/C9H7NOS2/c1-6(11)8-5-10-9(13-8)7-3-2-4-12-7/h2-5H,1H3
InChI Key:
SMBOOHTYRBDXTA-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc(s1)c1cccs1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.281g/mol
Monoisotopic Mass:
208.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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