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Home > Thiazole > 2044713-84-8
2044713-84-8 | 2-(1-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carbonitrile
CAS No: 2044713-84-8 Catalog No: AG01BXUF MDL No:MFCD30488038
Product Description
Catalog Number:
AG01BXUF
Chemical Name:
2-(1-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carbonitrile
CAS Number:
2044713-84-8
Molecular Formula:
C8H6N4S
Molecular Weight:
190.2250
MDL Number:
MFCD30488038
IUPAC Name:
2-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carbonitrile
InChI:
InChI=1S/C8H6N4S/c1-12-3-2-7(11-12)8-10-6(4-9)5-13-8/h2-3,5H,1H3
InChI Key:
HTVWFVYPWGLNTJ-UHFFFAOYSA-N
SMILES:
N#Cc1csc(n1)c1ccn(n1)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.224g/mol
Monoisotopic Mass:
190.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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