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210-87-7 | Thieno[3,4-e]benzothiazole(8CI,9CI)
CAS No: 210-87-7 Catalog No: AG002KIL MDL No:
Product Description
Catalog Number:
AG002KIL
Chemical Name:
Thieno[3,4-e]benzothiazole(8CI,9CI)
CAS Number:
210-87-7
Molecular Formula:
C9H5NS2
Molecular Weight:
191.2727
IUPAC Name:
thieno[3,4-e][1,3]benzothiazole
InChI:
InChI=1S/C9H5NS2/c1-2-8-9(10-5-12-8)7-4-11-3-6(1)7/h1-5H
InChI Key:
NTJKBVNKGXCAGQ-UHFFFAOYSA-N
SMILES:
s1cc2c(c1)c1ncsc1cc2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.266g/mol
Monoisotopic Mass:
190.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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