S-Methylisothiopseudouronium
PubChem CID: 5142
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| Compound Synonyms | methyl carbamimidothioate, s-methylisothiourea, 2986-19-8, 2-methylisothiourea, Carbamimidothioic acid, methyl ester, S-Methyl isothiourea, S-Methyl-isothiourea, S-Methylisothiouronium, S-methylthiourea, 2-methyl-2-thiopseudourea, S-Methylisothiopseudouronium, S-Methylisothiourea sulfate, S-Methylthiopseudouronium iodide, 2-Methyl-isothiourea, S-methylpseudothiourea, UNII-ES8C3884JW, carbamimidothioic acid methyl ester, CHEMBL356703, ES8C3884JW, S-Methyl-ITU, S-Methylthiuronium sulfate, methylisothiuronium, 2-Methylisothio urea, SR-01000075165, 1068-58-2, 2-Methyl-2-thiopseudourea hemisulfate salt, 2-methyl-2-pseudothiourea, pseudourea, 2-methyl-2-thio-, MFCD00129752, S-methylthiopseudourea, Methyl imidothiocarbamate, Z2-S-methyl isothiourea, SMT, Lopac-M-3127, Methyl imidothiocarbamate #, Lopac0_000755, DTXSID60903780, BBL013049, BDBM50055282, HSCI1_000214, STK301762, AKOS003291597, AKOS016371841, ((amino(imino)methyl)-sulfanyl)methane, SDCCGSBI-0050733.P002, NCGC00015664-01, NCGC00015664-02, NCGC00015664-03, NCGC00015664-07, NCGC00162238-01, PS-17819, {[AMINO(IMINO)METHYL]SULFANYL}METHANE, CS-0179522, SR-01000075165-1, SR-01000075165-3, Q27277336 |
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| Topological Polar Surface Area | 75.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 42.9 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P35228, P29474, P29475, P28482, Q96KQ7, P15289, P0DTD1, n.a. |
| Iupac Name | methyl carbamimidothioate |
| Prediction Hob | 1.0 |
| Target Id | NPT3517, NPT3974, NPT3569, NPT282 |
| Xlogp | 0.2 |
| Molecular Formula | C2H6N2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDDKIZNHOCEXTF-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.348 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.455 |
| Compound Name | S-Methylisothiopseudouronium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 90.0252 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 90.0252 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 90.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.44003620000000004 |
| Inchi | InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4) |
| Smiles | CSC(=N)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Flemingia Stricta (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Isodon Serra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all