| CAS Number | 104864-11-1 |
| Catalog Number | AG00J1FQ(AGN-PC-0OTXYR) |
| Chemical Name | [2-(1,3-Benzoxazol-2-ylthio)ethyl]amine hydrochloride |
| IUPAC Name | 2-(1,3-benzoxazol-2-ylsulfanyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C9H10N2OS.ClH/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9;/h1-4H,5-6,10H2;1H |
| InChI Key | GUWFUWJYOGCEDJ-UHFFFAOYSA-N |
| MDL Number | MFCD11841282 |
| Molecular Formula | C9H11ClN2OS |
| Molecular Weight | 230.7144 |
| SMILES | N1C2C=CC=CC=2OC=1SCCN.Cl |
| Synonyms | 104864-11-1,
2-(Benzo[d]oxazol-2-ylthio)ethanamine hydrochloride,
[2-(1,3-Benzoxazol-2-ylthio)ethyl]amine hydrochloride,
ZX-CM004264,
MFCD11841282,
MCULE-3839918850,
2-(1,3-Benzoxazol-2-ylthio)ethanamine hydrochloride,
2-(1,3-Benzoxazol-2-ylthio)ethanamine hydrochloride, AldrichCPR,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.71g/mol |
| Monoisotopic Mass | 230.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number