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140454-98-4 | Propanenitrile, 3-[(5-amino-3-methyl-4-isoxazolyl)thio]-
CAS No: 140454-98-4 Catalog No: AG001CGZ MDL No:
Product Description
Catalog Number:
AG001CGZ
Chemical Name:
Propanenitrile, 3-[(5-amino-3-methyl-4-isoxazolyl)thio]-
CAS Number:
140454-98-4
Molecular Formula:
C7H9N3OS
Molecular Weight:
183.2309
IUPAC Name:
3-[(5-amino-3-methyl-1,2-oxazol-4-yl)sulfanyl]propanenitrile
InChI:
InChI=1S/C7H9N3OS/c1-5-6(7(9)11-10-5)12-4-2-3-8/h2,4,9H2,1H3
InChI Key:
GEVAJIRFXFBUQF-UHFFFAOYSA-N
SMILES:
N#CCCSc1c(N)onc1C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.229g/mol
Monoisotopic Mass:
183.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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