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115583-28-3 | 6H-Pyrrolo[2,3-g]benzothiazole,2,7,8-trimethyl-(9CI)
CAS No: 115583-28-3 Catalog No: AG009Q3A MDL No:MFCD07657939
Product Description
Catalog Number:
AG009Q3A
Chemical Name:
6H-Pyrrolo[2,3-g]benzothiazole,2,7,8-trimethyl-(9CI)
CAS Number:
115583-28-3
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD07657939
IUPAC Name:
2,7,8-trimethyl-6H-pyrrolo[2,3-g][1,3]benzothiazole
InChI:
InChI=1S/C12H12N2S/c1-6-7(2)13-9-4-5-10-12(11(6)9)15-8(3)14-10/h4-5,13H,1-3H3
InChI Key:
WQNUWJZIGLKSPH-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)c1c(cc2)[nH]c(c1C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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