N-Boc-N'-methylthiourea - CAS 887913-52-2
Catalog: |
BB039207 |
Product Name: |
N-Boc-N'-methylthiourea |
CAS: |
887913-52-2 |
Synonyms: |
N-[methylamino(sulfanylidene)methyl]carbamic acid tert-butyl ester; tert-butyl N-(methylcarbamothioyl)carbamate |
IUPAC Name: | tert-butyl N-(methylcarbamothioyl)carbamate |
Description: | N-Boc-N'-methylthiourea (CAS# 887913-52-2) is a useful research chemical. |
Molecular Weight: | 190.26 |
Molecular Formula: | C7H14N2O2S |
Canonical SMILES: | CC(C)(C)OC(=O)NC(=S)NC |
InChI: | InChI=1S/C7H14N2O2S/c1-7(2,3)11-6(10)9-5(12)8-4/h1-4H3,(H2,8,9,10,12) |
InChI Key: | AFLNTOSPDZMJLL-UHFFFAOYSA-N |
LogP: | 1.63110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3005809-A1 | Iminotetrahydropyrimidinone derivatives as plasmepsin v inhibitors | 20151125 |
EA-034196-B1 | IMINOTETRHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS | 20151125 |
EP-3380464-A1 | Iminotetrahydropyrimidinone derivatives as plasmepsin v inhibitors | 20151125 |
EP-3380464-B1 | Iminotetrahydropyrimidinone derivatives as plasmepsin v inhibitors | 20151125 |
JP-2019501138-A | Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors | 20151125 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.07759887 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.07759887 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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