| CAS Number | 77053-20-4 |
| Catalog Number | AG005730(AGN-PC-0LK90T) |
| Chemical Name | 2-(Allylthio)aniline |
| IUPAC Name | 2-prop-2-enylsulfanylaniline |
| InChI | InChI=1S/C9H11NS/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7,10H2 |
| InChI Key | HDIIJUUMINQFTP-UHFFFAOYSA-N |
| MDL Number | MFCD06655714 |
| Molecular Formula | C9H11NS |
| Molecular Weight | 165.2553 |
| SMILES | NC1=CC=CC=C1SCC=C |
| Synonyms | 2-(allylthio)aniline,
77053-20-4,
2-(prop-2-en-1-ylsulfanyl)aniline,
2-prop-2-enylsulfanylaniline,
AC1NLQEJ,
AC1Q51AJ,
AC1Q52AS,
2-(allylsulfanyl)phenylamine,
SCHEMBL1082915,
CTK5E3776,
DTXSID20407052,
HMS1720L11,
2-(2-propen-1-ylsulfanyl)aniline,
ZINC3888783,
AKOS000195573,
MCULE-7412054662,
NE59744,
EN300-13194,
ZINC03888783,
CID4962286,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.254g/mol |
| Monoisotopic Mass | 165.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number