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647025-71-6 | Methanethioamide, N-[3-iodo-2-(phenylethynyl)phenyl]-
CAS No: 647025-71-6 Catalog No: AG00H8BS MDL No:
Product Description
Catalog Number:
AG00H8BS
Chemical Name:
Methanethioamide, N-[3-iodo-2-(phenylethynyl)phenyl]-
CAS Number:
647025-71-6
Molecular Formula:
C15H10INS
Molecular Weight:
363.2161
IUPAC Name:
N-[3-iodo-2-(2-phenylethynyl)phenyl]methanethioamide
InChI:
InChI=1S/C15H10INS/c16-14-7-4-8-15(17-11-18)13(14)10-9-12-5-2-1-3-6-12/h1-8,11H,(H,17,18)
InChI Key:
ZWLRMXCAKZBXHK-UHFFFAOYSA-N
SMILES:
S=CNc1cccc(c1C#Cc1ccccc1)I
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.958g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.216g/mol
Monoisotopic Mass:
362.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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