Phenylmethylsulfonyl Fluoride
PubChem CID: 4784
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| Compound Synonyms | Phenylmethylsulfonyl fluoride, PMSF, 329-98-6, phenylmethanesulfonyl fluoride, Benzylsulfonyl fluoride, Benzenemethanesulfonyl fluoride, alpha-TOLUENESULFONYL FLUORIDE, Phenylmethylsulfonylfluoride, Benzylsulphonyl fluoride, alpha-Toluenesulphonyl fluoride, NSC 88499, .alpha.-Toluenesulfonyl fluoride, EINECS 206-350-2, MFCD00007424, PHENYLMETHANESULPHONYL FLUORIDE, BRN 2088311, CHEBI:8102, NSC-88499, 57KD15003I, CHEMBL190503, DTXSID6059819, 3-11-00-00331 (Beilstein Handbook Reference), Phenylmethylsulphonyl fluoride, Fluoride, Phenylmethylsulfonyl, Fluoride, Phenylmethanesulfonyl, Fluoride, Benzenemethanesulfonyl, UNII-57KD15003I, PHENYLMETHYLSULFONYL-FLUORIDE, a-Toluenesulfonyl Fluoride, Benzylsulfonyl Fluoride, NSC 88499, PMSF, Phenylmethanesulfonyl Fluoride, A-Toluenesulfonyl fluoride, WLN: WSF1R, bmse000752, PMSF [MI], phenylmethanesulfonylfluoride, alphaToluenesulfonyl fluoride, NCIOpen2_001527, alphaToluenesulphonyl fluoride, Phenylmethanesulfonyl fluroide, SCHEMBL24938, phenyl methane sulfonylfluoride, phenylmethane-sulphonyl fluoride, DTXCID2038605, HMS3656J16, HMS3885O03, HY-B0496, NSC88499, PMSF, Phenylmethylsulfonyl fluoride, BDBM50171289, HSCI1_000354, PMSF (Phenylmethylsulfonyl Fluoride), s3025, AKOS001270830, CCG-207862, CCG-208035, FP12257, .ALPHA.-TOLUENESULPHONYL FLUORIDE, NCGC00346705-01, NCI60_041962, PS-10935, SY038235, DB-048310, B1062, B3473, NS00022060, SW219534-1, EN300-24380, C06747, Phenylmethanesulfonyl fluoride, >=98.5% (GC), Phenylmethanesulfonyl fluoride, >=99.0% (T), AB01566861_01, Q411575, BRD-K33422401-001-01-5, BRD-K33422401-001-05-6, BRD-K33422401-001-06-4, Z190630174, ?-Toluenesulfonyl fluoride, PMSF, Phenylmethanesulfonyl fluoride |
|---|---|
| Topological Polar Surface Area | 42.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | Component of corn gluten (Zea mays). obtained comly. by extraction of corn gluten with alkaline aq. 2-propanol. Moisture control agent. It is used in edible coatings for nuts and other foods and as a binder in confectionery glazes. GRAS approved Zein is a class of prolamine protein found in maize. It is usually manufactured as a powder from corn gluten meal. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 199.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O00519, n.a., P08246, Q9Y4D2, Q99685, P97612, P35030, P24158, P0DTD1 |
| Iupac Name | phenylmethanesulfonyl fluoride |
| Prediction Hob | 1.0 |
| Target Id | NPT1418, NPT279, NPT6588 |
| Xlogp | 1.3 |
| Molecular Formula | C7H7FO2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | YBYRMVIVWMBXKQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -2.006 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.326 |
| Compound Name | Phenylmethylsulfonyl Fluoride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 174.015 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.015 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 174.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0358515636363634 |
| Inchi | InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2 |
| Smiles | C1=CC=C(C=C1)CS(=O)(=O)F |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ixora Coccinea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all