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81568-85-6 | 2-Iodothiobenzamide
CAS No: 81568-85-6 Catalog No: AG01EXIE MDL No:
Product Description
Catalog Number:
AG01EXIE
Chemical Name:
2-Iodothiobenzamide
CAS Number:
81568-85-6
Molecular Formula:
C7H6INS
Molecular Weight:
263.0987
IUPAC Name:
2-iodobenzenecarbothioamide
InChI:
InChI=1S/C7H6INS/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChI Key:
SROXPQIFIILRJM-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccccc1I
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.927g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.096g/mol
Monoisotopic Mass:
262.927g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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