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52274-10-9 | 3-IODOBENZENETHIOL
CAS No: 52274-10-9 Catalog No: AG01BKJP MDL No:MFCD18451674
Product Description
Catalog Number:
AG01BKJP
Chemical Name:
3-IODOBENZENETHIOL
CAS Number:
52274-10-9
Molecular Formula:
C6H5IS
Molecular Weight:
236.0734
MDL Number:
MFCD18451674
IUPAC Name:
3-iodobenzenethiol
InChI:
InChI=1S/C6H5IS/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChI Key:
WVAWSDHHTJXNNA-UHFFFAOYSA-N
SMILES:
Sc1cccc(c1)I
Properties
Complexity:
74.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.916g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.07g/mol
Monoisotopic Mass:
235.916g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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