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Home > Indoles and Oxindole > 157984-19-5
157984-19-5 | 6H-1,2,3,4,5-Pentathiepino[6,7-b]indole (9CI)
CAS No: 157984-19-5 Catalog No: AG001PV0 MDL No:
Product Description
Catalog Number:
AG001PV0
Chemical Name:
6H-1,2,3,4,5-Pentathiepino[6,7-b]indole (9CI)
CAS Number:
157984-19-5
Molecular Formula:
C8H5NS5
Molecular Weight:
275.4570
IUPAC Name:
6H-pentathiepino[6,7-b]indole
InChI:
InChI=1S/C8H5NS5/c1-2-4-6-5(3-1)7-8(9-6)11-13-14-12-10-7/h1-4,9H
InChI Key:
SBHXWSIEGQHCNZ-UHFFFAOYSA-N
SMILES:
S1SSc2c(SS1)c1c([nH]2)cccc1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.903g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.435g/mol
Monoisotopic Mass:
274.903g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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