| CAS Number | 1429381-77-0 |
| Catalog Number | AG00IZ63(AGN-PC-0WAXMP) |
| Chemical Name | {[3,4-dihydro-1(2H)-naphthalenylidenamino]oxy}(4-methylphenyl)dioxo-lambda~6~-sulfane |
| IUPAC Name | (3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-methylbenzenesulfonate |
| InChI | InChI=1S/C17H17NO3S/c1-13-9-11-15(12-10-13)22(19,20)21-18-17-8-4-6-14-5-2-3-7-16(14)17/h2-3,5,7,9-12H,4,6,8H2,1H3 |
| InChI Key | DTDCYVFTPDCUOC-UHFFFAOYSA-N |
| MDL Number | MFCD03011945 |
| Molecular Formula | C17H17NO3S |
| Molecular Weight | 315.3868 |
| SMILES | S(=O)(=O)(ON=C2(C1(=C(C=CC=C1)CCC2)))C3(=CC=C(C)C=C3) |
| Synonyms | 1429381-77-0,
6339-09-9,
3,4-Dihydro-2H-naphthalen-1-ylidene]amino 4-methylbenzenesulfonate,
{[3,4-dihydro-1(2H)-naphthalenylidenamino]oxy}(4-methylphenyl)dioxo-lambda~6~-sulfane,
AC1L5VWZ,
CTK2F7471,
[(1E)-1,2,3,4-tetrahydronaphthalen-1-ylidene]amino 4-methylbenzene-1-sulfonate,
HMS2335P05,
KS-000021OB,
AKOS030245628,
MCULE-4952440131,
N-(4-methylphenyl)sulfonyloxytetralin-1-imine,
(3,4-dihydro-2H-naphthalen-1-ylideneamino) 4-methylbenzenesulfonate,
NSC38189,
CID236126,
|
| Complexity | 501 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.387g/mol |
| Monoisotopic Mass | 315.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number