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256657-97-3 | 4-[(2-pyridylthio)methyl]-2-(3-thienyl)-1,3-thiazole
CAS No: 256657-97-3 Catalog No: AG01DE94 MDL No:MFCD00179877
Product Description
Catalog Number:
AG01DE94
Chemical Name:
4-[(2-pyridylthio)methyl]-2-(3-thienyl)-1,3-thiazole
CAS Number:
256657-97-3
Molecular Formula:
C13H10N2S3
Molecular Weight:
290.4269
MDL Number:
MFCD00179877
IUPAC Name:
4-(pyridin-2-ylsulfanylmethyl)-2-thiophen-3-yl-1,3-thiazole
InChI:
InChI=1S/C13H10N2S3/c1-2-5-14-12(3-1)17-8-11-9-18-13(15-11)10-4-6-16-7-10/h1-7,9H,8H2
InChI Key:
RCKZXEGDWLFZTK-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)SCc1csc(n1)c1cscc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.001g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.417g/mol
Monoisotopic Mass:
290.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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