4-Boc-piperazine-1-carbothioamide - CAS 196811-66-2
Catalog: |
BB015210 |
Product Name: |
4-Boc-piperazine-1-carbothioamide |
CAS: |
196811-66-2 |
Synonyms: |
4-carbamothioyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-carbamothioylpiperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-carbamothioylpiperazine-1-carboxylate |
Description: | 4-Boc-piperazine-1-carbothioamide (CAS# 196811-66-2) is a useful research chemical. |
Molecular Weight: | 245.34 |
Molecular Formula: | C10H19N3O2S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C(=S)N |
InChI: | InChI=1S/C10H19N3O2S/c1-10(2,3)15-9(14)13-6-4-12(5-7-13)8(11)16/h4-7H2,1-3H3,(H2,11,16) |
InChI Key: | JBKRAGACGOPWFP-UHFFFAOYSA-N |
Boiling Point: | 354.7 ℃ at 760 mmHg |
Density: | 1.214 g/cm3 |
MDL: | MFCD07787249 |
LogP: | 1.35880 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017222958-B2 | Glycosidase inhibitors | 20160225 |
AU-2017222962-A1 | Acid addition salts of piperazine derivatives | 20160225 |
CA-3012560-A1 | Glycosidase inhibitors | 20160225 |
CA-3012624-A1 | Glycosidase inhibitors | 20160225 |
CA-3014376-A1 | Process for the separation of enantiomers of piperazine derivatives | 20160225 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.11979803 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.11979803 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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