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439110-81-3 | 2-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methylidene}propanedinitrile
CAS No: 439110-81-3 Catalog No: AG00IPX2 MDL No:MFCD03012743
Product Description
Catalog Number:
AG00IPX2
Chemical Name:
2-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methylidene}propanedinitrile
CAS Number:
439110-81-3
Molecular Formula:
C11H6N4S
Molecular Weight:
226.2571
MDL Number:
MFCD03012743
IUPAC Name:
2-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylidene]propanedinitrile
InChI:
InChI=1S/C11H6N4S/c12-7-9(8-13)6-10-2-1-4-15(10)11-14-3-5-16-11/h1-6H
InChI Key:
HEAUVSHUZDUNIH-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cccn1c1nccs1)C#N
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.257g/mol
Monoisotopic Mass:
226.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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