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78728-06-0 | Benzenecarbothioamide, 2-iodo-N-phenyl-
CAS No: 78728-06-0 Catalog No: AG005JUU MDL No:
Product Description
Catalog Number:
AG005JUU
Chemical Name:
Benzenecarbothioamide, 2-iodo-N-phenyl-
CAS Number:
78728-06-0
Molecular Formula:
C13H10INS
Molecular Weight:
339.1947
IUPAC Name:
2-iodo-N-phenylbenzenecarbothioamide
InChI:
InChI=1S/C13H10INS/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
InChI Key:
LYPOHTYJPMOIDY-UHFFFAOYSA-N
SMILES:
S=C(c1ccccc1I)Nc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.958g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.194g/mol
Monoisotopic Mass:
338.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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