| CAS Number | 20901-69-3 |
| Catalog Number | AG002K0J(AGN-PC-03RRI3) |
| Chemical Name | Benzenamine, 3-fluoro-4-(methylthio)- |
| IUPAC Name | 3-fluoro-4-methylsulfanylaniline |
| InChI | InChI=1S/C7H8FNS/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3 |
| InChI Key | WVMOEJCBXYTAAU-UHFFFAOYSA-N |
| MDL Number | MFCD11636348 |
| Molecular Formula | C7H8FNS |
| Molecular Weight | 157.2085 |
| SMILES | S(C)c1c(F)cc(cc1)N |
| Synonyms | 20901-69-3,
3-fluoro-4-(methylsulfanyl)aniline,
3-Fluoro-4-(methylthio)aniline,
3-Fluoro-4-(methylthio)benzenamine,
Benzenamine, 3-fluoro-4-(methylthio)-,
SCHEMBL1115010,
3-Fluoro-4-methylsulfanylaniline,
3-fluoro-4-methylsulfanyl aniline,
WVMOEJCBXYTAAU-UHFFFAOYSA-N,
3-fluoro-4-methylsulfanylphenylamine,
MFCD11636348,
ZINC37194547,
3-fluoro-4-methylsulfanyl-phenylamine,
AKOS009467119,
MCULE-6081504332,
NE49880,
EN300-90278,
Z1262398498,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.206g/mol |
| Monoisotopic Mass | 157.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number