| CAS Number | 861343-73-9 |
| Catalog Number | AG00IM8C(AGN-PC-0WB7PT) |
| Chemical Name | [2-(isopropylthio)phenyl]amine hydrochloride |
| IUPAC Name | 2-propan-2-ylsulfanylaniline;hydrochloride |
| InChI | InChI=1S/C9H13NS.ClH/c1-7(2)11-9-6-4-3-5-8(9)10;/h3-7H,10H2,1-2H3;1H |
| InChI Key | SAXURRYWDUKWPH-UHFFFAOYSA-N |
| MDL Number | MFCD11841393 |
| Molecular Formula | C9H14ClNS |
| Molecular Weight | 203.7322 |
| SMILES | Cl.C(C)(C)SC1=C(N)C=CC=C1 |
| Synonyms | 2-(Isopropylthio)aniline hydrochloride,
861343-73-9,
[2-(Isopropylthio)phenyl]amine hydrochloride,
SCHEMBL19896479,
BenzenaMine, 2-[(1-Methylethyl)thio]-, hydrochloride (1:1),
BCP26195,
ZX-CM018274,
MFCD11841393,
AKOS027390887,
CS-13086,
CS-0010898,
2-(Isopropylthio)aniline hydrochloride, AldrichCPR,
BenzenaMine,2-[(1-Methylethyl)thio]-,hydrochloride,
9071574-25G,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.728g/mol |
| Monoisotopic Mass | 203.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number