| CAS Number | 52928-01-5 |
| Catalog Number | AG00DLXG(AGN-PC-0JUH0E) |
| Chemical Name | 4-iodobenzene-1-thiol |
| IUPAC Name | 4-iodobenzenethiol |
| InChI | InChI=1S/C6H5IS/c7-5-1-3-6(8)4-2-5/h1-4,8H |
| InChI Key | IKZUTVQEBGHQJA-UHFFFAOYSA-N |
| MDL Number | MFCD01632442 |
| Molecular Formula | C6H5IS |
| Molecular Weight | 236.0734 |
| SMILES | SC1=CC=C(C=C1)I |
| Synonyms | 4-iodothiophenol,
4-iodobenzenethiol,
p-iodothiophenol,
52928-01-5,
AC1LCVOK,
Benzenethiol, 4-iodo-,
SCHEMBL48310,
CTK1G1772,
DTXSID40349667,
IKZUTVQEBGHQJA-UHFFFAOYSA-N,
4-IODO-BENZENETHIOL (WITH THE DIMMER IMPURITY),
CID656900,
pih,
|
| Complexity | 66.9 |
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number