| CAS Number | 699-09-2 |
| Catalog Number | AG005T1Y(AGN-PC-0MMYEY) |
| Chemical Name | 4-Ethoxybenzenethiol |
| IUPAC Name | 4-ethoxybenzenethiol |
| InChI | InChI=1S/C8H10OS/c1-2-9-7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3 |
| InChI Key | OXWOIUVGAWIZQQ-UHFFFAOYSA-N |
| MDL Number | MFCD07847842 |
| Molecular Formula | C8H10OS |
| Molecular Weight | 154.2294 |
| SMILES | CCOC1=CC=C(S)C=C1 |
| Synonyms | 4-ethoxybenzenethiol,
699-09-2,
4-ethoxybenzene-1-thiol,
p-ethoxythiophenol,
4-Ethoxythiophenol,
p-ethoxybenzenethiol,
AC1PK8KC,
AC1Q37UQ,
SCHEMBL2643041,
CTK5D1546,
DTXSID90429307,
OXWOIUVGAWIZQQ-UHFFFAOYSA-N,
HMS1776E09,
ZINC20268573,
AKOS009085878,
MCULE-4788710559,
NE59447,
EN300-23919,
Z168883336,
CID9106508,
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| Complexity | 87.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.227g/mol |
| Monoisotopic Mass | 154.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 10.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number