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129821-08-5 | 9(10H)-Acridinethione, 3-amino-
CAS No: 129821-08-5 Catalog No: AG000TPR MDL No:
Product Description
Catalog Number:
AG000TPR
Chemical Name:
9(10H)-Acridinethione, 3-amino-
CAS Number:
129821-08-5
Molecular Formula:
C13H10N2S
Molecular Weight:
226.2969
IUPAC Name:
3-amino-10H-acridine-9-thione
InChI:
InChI=1S/C13H10N2S/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13(10)16/h1-7H,14H2,(H,15,16)
InChI Key:
LHMSGVQQFOFVAP-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)[nH]c1c(c2=S)cccc1
NSC Number:
680434
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.297g/mol
Monoisotopic Mass:
226.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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