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Home > Aldehydes > 893736-88-4
893736-88-4 | 4-[4-(Methylsulfanyl)phenyl]-2-thiophenecarbaldehyde
CAS No: 893736-88-4 Catalog No: AG01EYNC MDL No:
Product Description
Catalog Number:
AG01EYNC
Chemical Name:
4-[4-(Methylsulfanyl)phenyl]-2-thiophenecarbaldehyde
CAS Number:
893736-88-4
Molecular Formula:
C12H10OS2
Molecular Weight:
234.3372
IUPAC Name:
4-(4-methylsulfanylphenyl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C12H10OS2/c1-14-11-4-2-9(3-5-11)10-6-12(7-13)15-8-10/h2-8H,1H3
InChI Key:
WTXLHSITTSAIOV-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1csc(c1)C=O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.331g/mol
Monoisotopic Mass:
234.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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