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177748-62-8 | Benzeneethanethiol, 2-iodo-
CAS No: 177748-62-8 Catalog No: AG0025J1 MDL No:MFCD17013546
Product Description
Catalog Number:
AG0025J1
Chemical Name:
Benzeneethanethiol, 2-iodo-
CAS Number:
177748-62-8
Molecular Formula:
C8H9IS
Molecular Weight:
264.1265
MDL Number:
MFCD17013546
IUPAC Name:
2-(2-iodophenyl)ethanethiol
InChI:
InChI=1S/C8H9IS/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChI Key:
SIUBZRQUSXYLCV-UHFFFAOYSA-N
SMILES:
SCCc1ccccc1I
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.947g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.124g/mol
Monoisotopic Mass:
263.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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