| CAS Number | 4170-80-3 |
| Catalog Number | AG0075IP(AGN-PC-0WAKIR) |
| Chemical Name | (Ethylsulfinyl)benzene |
| IUPAC Name | ethylsulfinylbenzene |
| InChI | InChI=1S/C8H10OS/c1-2-10(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChI Key | DUVLJBQCIZCUMW-UHFFFAOYSA-N |
| MDL Number | MFCD00019929 |
| Molecular Formula | C8H10OS |
| Molecular Weight | 154.2294 |
| NSC Number | 259698 |
| SMILES | O=S(C1=CC=CC=C1)CC |
| Synonyms | Ethylphenylsulfoxide,
Ethyl Phenyl Sulfoxide,
4170-80-3,
(ethylsulfinyl)benzene,
Ethanesulfinyl-benzene,
CHEMBL171768,
DUVLJBQCIZCUMW-UHFFFAOYSA-N,
ethylsulfinylbenzene,
NSC259698,
(ETHANESULFINYL)BENZENE,
SCHEMBL775291,
AC1L3C67,
CTK4I5155,
NISTC4170803,
BDBM50224818,
AKOS022179188,
NSC-259698,
CID138143,
|
| Complexity | 116 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.227g/mol |
| Monoisotopic Mass | 154.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precuationary statements
|
|
|
Siginal words
|
|
Certificate of Analysis
Lot Number