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Home > Indoles and Oxindole > 4734-98-9
4734-98-9 | 1H-benzo[cd]indole-2-thione
CAS No: 4734-98-9 Catalog No: AG01DI46 MDL No:MFCD00522144
Product Description
Catalog Number:
AG01DI46
Chemical Name:
1H-benzo[cd]indole-2-thione
CAS Number:
4734-98-9
Molecular Formula:
C11H7NS
Molecular Weight:
185.2450
MDL Number:
MFCD00522144
IUPAC Name:
1H-benzo[cd]indole-2-thione
InChI:
InChI=1S/C11H7NS/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
InChI Key:
NJYOCLXLQBLONC-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c3c1cccc3ccc2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.244g/mol
Monoisotopic Mass:
185.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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