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Home > Indoles and Oxindole > 846-35-5
846-35-5 | benzo[e][1]benzothiopyrano[4,3-b]indole
CAS No: 846-35-5 Catalog No: AG00510I MDL No:
Product Description
Catalog Number:
AG00510I
Chemical Name:
benzo[e][1]benzothiopyrano[4,3-b]indole
CAS Number:
846-35-5
Molecular Formula:
C19H11NS
Molecular Weight:
285.3623
IUPAC Name:
20-thia-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(21),2(11),3,5,7,9,12,14,16,18-decaene
InChI:
InChI=1S/C19H11NS/c1-2-6-13-12(5-1)9-10-16-18(13)15-11-21-17-8-4-3-7-14(17)19(15)20-16/h1-11H
InChI Key:
ZSAJUPSOOPBWDT-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1nc3c(c1cs2)c1ccccc1cc3
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.061g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.364g/mol
Monoisotopic Mass:
285.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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