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28142-85-0 | 2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-thiazole
CAS No: 28142-85-0 Catalog No: AG00IS0H MDL No:MFCD04126046
Product Description
Catalog Number:
AG00IS0H
Chemical Name:
2-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3-thiazole
CAS Number:
28142-85-0
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
MDL Number:
MFCD04126046
IUPAC Name:
2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole
InChI:
InChI=1S/C9H10N2S/c1-7-3-4-8(2)11(7)9-10-5-6-12-9/h3-6H,1-2H3
InChI Key:
CHBSNIJSWRBGHR-UHFFFAOYSA-N
SMILES:
Cc1ccc(n1c1nccs1)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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