| CAS Number | 1095599-55-5 |
| Catalog Number | AG01AHXT |
| Chemical Name | 4-[(2-methoxyethyl)sulfanyl]aniline |
| IUPAC Name | 4-(2-methoxyethylsulfanyl)aniline |
| InChI | InChI=1S/C9H13NOS/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5H,6-7,10H2,1H3 |
| InChI Key | MXBPRIALOVTHRD-UHFFFAOYSA-N |
| MDL Number | MFCD11635172 |
| Molecular Formula | C9H13NOS |
| Molecular Weight | 183.2706 |
| SMILES | COCCSC1=CC=C(N)C=C1 |
| Synonyms | 4-[(2-methoxyethyl)sulfanyl]aniline,
1095599-55-5,
SCHEMBL11876367,
ZINC37182283,
AKOS009441802,
MCULE-1241439672,
NE56273,
EN300-76110,
Z1267882070,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.269g/mol |
| Monoisotopic Mass | 183.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number