| CAS Number | 305811-07-8 |
| Catalog Number | AG0030LL(AGN-PC-0R5WCW) |
| Chemical Name | 3-Fluoro-2-(methylthio)aniline |
| IUPAC Name | 3-fluoro-2-methylsulfanylaniline |
| InChI | InChI=1S/C7H8FNS/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,9H2,1H3 |
| InChI Key | GFGIPUGVPPOENQ-UHFFFAOYSA-N |
| MDL Number | MFCD18824885 |
| Molecular Formula | C7H8FNS |
| Molecular Weight | 157.2085 |
| SMILES | CSC1=C(F)C=CC=C1N |
| Synonyms | 305811-07-8,
3-fluoro-2-(methylthio)aniline,
3-fluoro-2-(methylsulfanyl)aniline,
SCHEMBL6365906,
CTK4G5452,
DTXSID10448717,
GFGIPUGVPPOENQ-UHFFFAOYSA-N,
ZINC34566972,
AKOS023126649,
Benzenamine,3-fluoro-2-(methylthio)-,
BENZENAMINE, 3-FLUORO-2-(METHYLTHIO)-,
Z2492802461,
Benzenamine,3-fluoro-2- -,
3-fluoro-2-methylsulfanyl-aniline,
CID10931696,
Benzenamine, 3-fluoro-2-(methylthio)- (9CI),
|
| 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
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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\N
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Certificate of Analysis
Lot Number