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106748-26-9 | 3-Iodobenzothioamide
CAS No: 106748-26-9 Catalog No: AG007BT8 MDL No:MFCD04973317
Product Description
Catalog Number:
AG007BT8
Chemical Name:
3-Iodobenzothioamide
CAS Number:
106748-26-9
Molecular Formula:
C7H6INS
Molecular Weight:
263.0987
MDL Number:
MFCD04973317
IUPAC Name:
3-iodobenzenecarbothioamide
InChI:
InChI=1S/C7H6INS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key:
AKDKWPJNKCULKS-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)C(=S)N
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:
3.1
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