| CAS Number | 857596-12-4 |
| Catalog Number | AG00G98W |
| Chemical Name | 4-{[2-(Dimethylamino)ethyl]sulfanyl}aniline |
| IUPAC Name | 4-[2-(dimethylamino)ethylsulfanyl]aniline |
| InChI | InChI=1S/C10H16N2S/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8,11H2,1-2H3 |
| InChI Key | KQZATKUQMFHKSV-UHFFFAOYSA-N |
| MDL Number | MFCD11635220 |
| Molecular Formula | C10H16N2S |
| Molecular Weight | 196.3124 |
| SMILES | CN(CCSC1=CC=C(N)C=C1)C |
| Synonyms | 4-{[2-(dimethylamino)ethyl]sulfanyl}aniline,
857596-12-4,
4-[[2-(dimethylamino)ethyl]thio]Benzenamine,
SCHEMBL3567044,
KQZATKUQMFHKSV-UHFFFAOYSA-N,
ZINC37182484,
NE55927,
FT-0708065,
4-(2-dimethylamino-ethylsulfanyl)-phenylamine,
EN300-76117,
Benzenamine, 4-[[2-(dimethylamino)ethyl]thio]-,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.312g/mol |
| Monoisotopic Mass | 196.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number