| CAS Number | 40897-41-4 |
| Catalog Number | AG00I80G(AGN-PC-0NH360) |
| Chemical Name | 3-[(3-Aminophenyl)disulfanyl]aniline |
| IUPAC Name | 3-[(3-aminophenyl)disulfanyl]aniline |
| InChI | InChI=1S/C12H12N2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H,13-14H2 |
| InChI Key | HZCSIYBMJICNFY-UHFFFAOYSA-N |
| MDL Number | MFCD25963268 |
| Molecular Formula | C12H12N2S2 |
| Molecular Weight | 248.3671 |
| SMILES | Nc1cccc(c1)SSc1cccc(c1)N |
| Synonyms | 40897-41-4,
3,3'-Disulfanediyldianiline,
bis(3-aminophenyl)-disulfide,
3-[(3-AMINOPHENYL)DISULFANYL]ANILINE,
3-aminophenyl disulfide,
3,3'-Dithiodianiline,
3,3'-Dithiobisaniline,
SCHEMBL34540,
bis-(3-aminophenyl)disulfide,
HZCSIYBMJICNFY-UHFFFAOYSA-N,
ZINC38327953,
3-(3-aminophenyl)disulfanylaniline,
CID11172703,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.362g/mol |
| Monoisotopic Mass | 248.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number