| CAS Number | 67469-02-7 |
| Catalog Number | AG00FGA5(AGN-PC-02SVNS) |
| Chemical Name | 4-(methylsulfanyl)benzene-1,2-diamine |
| IUPAC Name | 4-methylsulfanylbenzene-1,2-diamine |
| InChI | InChI=1S/C7H10N2S/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3 |
| InChI Key | GRWXTRRBUDFFIM-UHFFFAOYSA-N |
| MDL Number | MFCD18804703 |
| Molecular Formula | C7H10N2S |
| Molecular Weight | 154.2327 |
| SMILES | CSC1=CC(N)=C(N)C=C1 |
| Synonyms | 4-(methylthio)benzene-1,2-diamine,
67469-02-7,
4-(Methylsulfanyl)benzene-1,2-diamine,
SCHEMBL913855,
2-Amino-4-(methylthio)aniline,
CTK8J9959,
GRWXTRRBUDFFIM-UHFFFAOYSA-N,
4-methylthio-1,2-phenylenediamine,
ZINC95930842,
NE31026,
DA-04431,
FT-0756456,
1,2-Benzenediamine,4- -,
1,2-Benzenediamine, 4-(methylthio)-,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.231g/mol |
| Monoisotopic Mass | 154.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number