1.0 2018-07-17 17:50:14 UTC 2020-03-13 17:36:54 UTC BMDB0062567 BMDB62567 Methanesulfonic acid Mesylate, also known as methanesulfonate or mesylic acid, belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). Mesylate exists as a solid, possibly soluble (in water), and an extremely strong acidic compound (based on its pKa) molecule. Methansulfonsaeure Methylsulfonic acid Methanesulfonate Methansulphonsaeure Methylsulfonate Methylsulphonate Methylsulphonic acid Methanesulfonic acid Methanesulphonate Methanesulphonic acid Mesylic acid CH4O3S 96.106 95.988114684 methanesulfonic acid methanesulfonic acid 75-75-2 CS(O)(=O)=O InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) AFVFQIVMOAPDHO-UHFFFAOYSA-N belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). Organic compounds Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives Organosulfonic acids Alkanesulfonic acids Hydrocarbon derivatives Methanesulfonates Organic oxides Sulfonyls Aliphatic acyclic compound Alkanesulfonic acid Hydrocarbon derivative Methanesulfonate Organic oxide Organic oxygen compound Organosulfonic acid Organosulfur compound Sulfonyl Aliphatic acyclic compounds alkanesulfonic acid one-carbon compound logp -2.02 ALOGPS logs -0.28 ALOGPS logp -0.96 ChemAxon pka_strongest_acidic -1.6 ChemAxon iupac methanesulfonic acid ChemAxon average_mass 96.106 ChemAxon mono_mass 95.988114684 ChemAxon smiles CS(O)(=O)=O ChemAxon formula CH4O3S ChemAxon inchi InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) ChemAxon inchikey AFVFQIVMOAPDHO-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 16.53 ChemAxon polarizability 7.55 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 103502 Specdb::CMs 131555 Specdb::CMs 139289 Specdb::NmrOneD 72532 Specdb::NmrOneD 72533 Specdb::NmrOneD 72534 Specdb::NmrOneD 72535 Specdb::NmrOneD 72536 Specdb::NmrOneD 72537 Specdb::NmrOneD 72538 Specdb::NmrOneD 72539 Specdb::NmrOneD 72540 Specdb::NmrOneD 72541 Specdb::NmrOneD 72542 Specdb::NmrOneD 72543 Specdb::NmrOneD 72544 Specdb::NmrOneD 72545 Specdb::NmrOneD 72546 Specdb::NmrOneD 72547 Specdb::NmrOneD 72548 Specdb::NmrOneD 72549 Specdb::NmrOneD 72550 Specdb::NmrOneD 72551 Specdb::MsMs 44319 Specdb::MsMs 44320 Specdb::MsMs 44321 Specdb::MsMs 136893 Specdb::MsMs 136894 Specdb::MsMs 136895 Specdb::MsMs 1471090 Specdb::MsMs 1471091 Specdb::MsMs 1471092 Specdb::MsMs 1471093 Specdb::MsMs 1471094 Specdb::MsMs 1474082 Specdb::MsMs 1474083 Specdb::MsMs 1474084 Specdb::MsMs 1474085 Specdb::MsMs 1474086 Specdb::MsMs 1474087 Specdb::MsMs 1474088 Specdb::MsMs 1474089 Specdb::MsMs 1474090 Specdb::MsMs 1474091 Specdb::MsMs 1474092 Specdb::MsMs 1474093 Specdb::MsMs 1474094 Specdb::MsMs 1474095 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 6155 FDB098394 6395 C11145 27376 Methanesulfonic_acid CPD-3746 Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828