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Home > Aldehydes > 121564-81-6
121564-81-6 | 1,3,4-Thiadiazole-2-carboxaldehyde, 5-phenyl-, oxime, (E)- (9CI)
CAS No: 121564-81-6 Catalog No: AG0015AH MDL No:
Product Description
Catalog Number:
AG0015AH
Chemical Name:
1,3,4-Thiadiazole-2-carboxaldehyde, 5-phenyl-, oxime, (E)- (9CI)
CAS Number:
121564-81-6
Molecular Formula:
C9H7N3OS
Molecular Weight:
205.2364
IUPAC Name:
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C9H7N3OS/c13-10-6-8-11-12-9(14-8)7-4-2-1-3-5-7/h1-6,13H
InChI Key:
KKILQJQKWFVFLH-UHFFFAOYSA-N
SMILES:
O/N=C/c1nnc(s1)c1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.235g/mol
Monoisotopic Mass:
205.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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