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288159-92-2 | 1,8-Naphthalenediamine, N1-(3-thienylmethylene)-
CAS No: 288159-92-2 Catalog No: AG002WME MDL No:
Product Description
Catalog Number:
AG002WME
Chemical Name:
1,8-Naphthalenediamine, N1-(3-thienylmethylene)-
CAS Number:
288159-92-2
Molecular Formula:
C15H12N2S
Molecular Weight:
252.3342
IUPAC Name:
8-(thiophen-3-ylmethylideneamino)naphthalen-1-amine
InChI:
InChI=1S/C15H12N2S/c16-13-5-1-3-12-4-2-6-14(15(12)13)17-9-11-7-8-18-10-11/h1-10H,16H2
InChI Key:
HJGRXQJMCYCTLG-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1c(ccc2)N=Cc1ccsc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.335g/mol
Monoisotopic Mass:
252.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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