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825613-58-9 | 2-Benzothiazolamine, N-(3-thienylmethylene)-
CAS No: 825613-58-9 Catalog No: AG005DX5 MDL No:
Product Description
Catalog Number:
AG005DX5
Chemical Name:
2-Benzothiazolamine, N-(3-thienylmethylene)-
CAS Number:
825613-58-9
Molecular Formula:
C12H8N2S2
Molecular Weight:
244.3353
IUPAC Name:
N-(1,3-benzothiazol-2-yl)-1-thiophen-3-ylmethanimine
InChI:
InChI=1S/C12H8N2S2/c1-2-4-11-10(3-1)14-12(16-11)13-7-9-5-6-15-8-9/h1-8H
InChI Key:
BADQSSPCTKXJQT-UHFFFAOYSA-N
SMILES:
c1scc(c1)C=Nc1nc2c(s1)cccc2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.33g/mol
Monoisotopic Mass:
244.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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