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88877-62-7 | Phenol, 5-amino-2-(2-benzothiazolyl)-
CAS No: 88877-62-7 Catalog No: AG004984 MDL No:MFCD00442542
Product Description
Catalog Number:
AG004984
Chemical Name:
Phenol, 5-amino-2-(2-benzothiazolyl)-
CAS Number:
88877-62-7
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
MDL Number:
MFCD00442542
IUPAC Name:
5-amino-2-(1,3-benzothiazol-2-yl)phenol
InChI:
InChI=1S/C13H10N2OS/c14-8-5-6-9(11(16)7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H,14H2
InChI Key:
PJHQPFRPACFPPM-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)O)c1nc2c(s1)cccc2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Modulation of the ESIPT emission of benzothiazole type dye incorporated in silica-based hybrid materials. | Langmuir : the ACS journal of surfaces and colloids 20091117 |
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