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126581-24-6 | 2H-Pyrrolo[2,3-f]benzothiazole
CAS No: 126581-24-6 Catalog No: AG000SZ0 MDL No:
Product Description
Catalog Number:
AG000SZ0
Chemical Name:
2H-Pyrrolo[2,3-f]benzothiazole
CAS Number:
126581-24-6
Molecular Formula:
C9H6N2S
Molecular Weight:
174.2223
IUPAC Name:
2H-pyrrolo[2,3-f][1,3]benzothiazole
InChI:
InChI=1S/C9H6N2S/c1-2-10-7-4-8-9(3-6(1)7)12-5-11-8/h1-4H,5H2
InChI Key:
OEHKBSICIDJOMG-UHFFFAOYSA-N
SMILES:
C1Sc2c(=N1)cc1c(=CC=N1)c2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.221g/mol
Monoisotopic Mass:
174.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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