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Home > Aldehydes > 255833-19-3
255833-19-3 | Benzaldehyde, 4-[(2-benzothiazolylthio)methyl]-
CAS No: 255833-19-3 Catalog No: AG007MPO MDL No:
Product Description
Catalog Number:
AG007MPO
Chemical Name:
Benzaldehyde, 4-[(2-benzothiazolylthio)methyl]-
CAS Number:
255833-19-3
Molecular Formula:
C15H11NOS2
Molecular Weight:
285.3839
IUPAC Name:
4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzaldehyde
InChI:
InChI=1S/C15H11NOS2/c17-9-11-5-7-12(8-6-11)10-18-15-16-13-3-1-2-4-14(13)19-15/h1-9H,10H2
InChI Key:
KDQWKDNFKVDSPD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)CSc1nc2c(s1)cccc2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.379g/mol
Monoisotopic Mass:
285.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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