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100057-55-4 | Ethanamine, 2-(2-benzothiazolylthio)-N,N-dimethyl-
CAS No: 100057-55-4 Catalog No: AG0000RF MDL No:
Product Description
Catalog Number:
AG0000RF
Chemical Name:
Ethanamine, 2-(2-benzothiazolylthio)-N,N-dimethyl-
CAS Number:
100057-55-4
Molecular Formula:
C11H14N2S2
Molecular Weight:
238.3723
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylethanamine
InChI:
InChI=1S/C11H14N2S2/c1-13(2)7-8-14-11-12-9-5-3-4-6-10(9)15-11/h3-6H,7-8H2,1-2H3
InChI Key:
KMWKXYYYWRNCEV-UHFFFAOYSA-N
SMILES:
CN(CCSc1nc2c(s1)cccc2)C
NSC Number:
372514
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.367g/mol
Monoisotopic Mass:
238.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Thiazoles and thiopyridines: novel series of high affinity h5HT(7) ligands. | Bioorganic & medicinal chemistry letters 20040209 |
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