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164266-29-9 | 2-Thiophenecarbothioamide, N-3-dibenzofuranyl-
CAS No: 164266-29-9 Catalog No: AG001UQP MDL No:
Product Description
Catalog Number:
AG001UQP
Chemical Name:
2-Thiophenecarbothioamide, N-3-dibenzofuranyl-
CAS Number:
164266-29-9
Molecular Formula:
C17H11NOS2
Molecular Weight:
309.4053
IUPAC Name:
N-dibenzofuran-3-ylthiophene-2-carbothioamide
InChI:
InChI=1S/C17H11NOS2/c20-17(16-6-3-9-21-16)18-11-7-8-13-12-4-1-2-5-14(12)19-15(13)10-11/h1-10H,(H,18,20)
InChI Key:
GZQQAKFFXBGHQA-UHFFFAOYSA-N
SMILES:
S=C(c1cccs1)Nc1ccc2c(c1)oc1c2cccc1
NSC Number:
687315
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.028g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.401g/mol
Monoisotopic Mass:
309.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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