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28989-20-0 | Benzenecarbothioamide, N-3-dibenzofuranyl-
CAS No: 28989-20-0 Catalog No: AG002V41 MDL No:
Product Description
Catalog Number:
AG002V41
Chemical Name:
Benzenecarbothioamide, N-3-dibenzofuranyl-
CAS Number:
28989-20-0
Molecular Formula:
C19H13NOS
Molecular Weight:
303.3776
IUPAC Name:
N-dibenzofuran-3-ylbenzenecarbothioamide
InChI:
InChI=1S/C19H13NOS/c22-19(13-6-2-1-3-7-13)20-14-10-11-16-15-8-4-5-9-17(15)21-18(16)12-14/h1-12H,(H,20,22)
InChI Key:
CISCFAAREFSAHA-UHFFFAOYSA-N
SMILES:
S=C(c1ccccc1)Nc1ccc2c(c1)oc1c2cccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.379g/mol
Monoisotopic Mass:
303.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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