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Home > Aldehydes > 491613-63-9
491613-63-9 | Benzaldehyde, 4-[[4-(dimethylamino)phenyl]dithio]-
CAS No: 491613-63-9 Catalog No: AG00713C MDL No:
Product Description
Catalog Number:
AG00713C
Chemical Name:
Benzaldehyde, 4-[[4-(dimethylamino)phenyl]dithio]-
CAS Number:
491613-63-9
Molecular Formula:
C15H15NOS2
Molecular Weight:
289.4157
IUPAC Name:
4-[[4-(dimethylamino)phenyl]disulfanyl]benzaldehyde
InChI:
InChI=1S/C15H15NOS2/c1-16(2)13-5-9-15(10-6-13)19-18-14-7-3-12(11-17)4-8-14/h3-11H,1-2H3
InChI Key:
BYVYKLQCTHJPJY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)SSc1ccc(cc1)N(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.06g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.411g/mol
Monoisotopic Mass:
289.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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