| CAS Number | 188642-29-7 |
| Catalog Number | AG00ABB4(AGN-PC-00OUXG) |
| Chemical Name | N-(2-(Phenylthio)ethyl)prop-2-en-1-amine |
| IUPAC Name | N-(2-phenylsulfanylethyl)prop-2-en-1-amine |
| InChI | InChI=1S/C11H15NS/c1-2-8-12-9-10-13-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2 |
| InChI Key | BGEHFVIOFPSTOL-UHFFFAOYSA-N |
| MDL Number | MFCD08691980 |
| Molecular Formula | C11H15NS |
| Molecular Weight | 193.3085 |
| SMILES | C(CNCCSC1C=CC=CC=1)=C |
| Synonyms | 188642-29-7,
N-[2-(Phenylthio)ethyl]-2-propen-1-amine,
N-(2-(Phenylthio)ethyl)prop-2-en-1-amine,
2-Propen-1-amine, N-[2-(phenylthio)ethyl]-,
CTK0A3948,
DTXSID20571328,
CHEMBRDG-BB 9071784,
ZX-CM018347,
MFCD08691980,
ZINC19094368,
AKOS009084890,
AJ-72428,
N-[2-(Phenylsulfanyl)ethyl]prop-2-en-1-amine,
Y-4616,
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.308g/mol |
| Monoisotopic Mass | 193.093g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number