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Home > Aldehydes > 133406-78-7
133406-78-7 | 3-Thiophenecarboxaldehyde, 5-methyl-2-(2-propenylthio)-, oxime
CAS No: 133406-78-7 Catalog No: AG0080J1 MDL No:
Product Description
Catalog Number:
AG0080J1
Chemical Name:
3-Thiophenecarboxaldehyde, 5-methyl-2-(2-propenylthio)-, oxime
CAS Number:
133406-78-7
Molecular Formula:
C9H11NOS2
Molecular Weight:
213.3197
IUPAC Name:
N-[(5-methyl-2-prop-2-enylsulfanylthiophen-3-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C9H11NOS2/c1-3-4-12-9-8(6-10-11)5-7(2)13-9/h3,5-6,11H,1,4H2,2H3
InChI Key:
FHWPPKRXAMBZFY-UHFFFAOYSA-N
SMILES:
Cc1cc(c(s1)SCC=C)C=NO
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.313g/mol
Monoisotopic Mass:
213.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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