3-Aminorhodanine - CAS 1438-16-0
Catalog: |
BB009672 |
Product Name: |
3-Aminorhodanine |
CAS: |
1438-16-0 |
Synonyms: |
3-amino-2-sulfanylidene-1,3-thiazolidin-4-one |
IUPAC Name: | 3-amino-2-sulfanylidene-1,3-thiazolidin-4-one |
Description: | 3-Aminorhodanine (CAS# 1438-16-0 ) is a useful research chemical. |
Molecular Weight: | 148.21 |
Molecular Formula: | C3H4N2OS2 |
Canonical SMILES: | C1C(=O)N(C(=S)S1)N |
InChI: | InChI=1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2 |
InChI Key: | ZBUUHLDYMKTVLT-UHFFFAOYSA-N |
Boiling Point: | 268.2 °C at 760 mmHg |
Melting Point: | 100-103 °C(lit.) |
Purity: | 95 % |
Density: | 1.71 g/cm3 |
Appearance: | Yellow crystalline powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00005489 |
LogP: | 0.35860 |
GHS Hazard Statement: | H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P262, P264, P270, P280, P301+P310, P302+P350, P310, P321, P322, P330, P361, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2018192793-A1 | Substituted rhodanine derivatives | 20170420 |
CA-3015464-A1 | Crystal of compound having jak-inhibiting activity | 20160301 |
CN-108699082-A | The crystal of compound with JAK inhibiting effect | 20160301 |
EP-3424930-A1 | Crystal of compound having jak-inhibiting activity | 20160301 |
JP-WO2017150477-A1 | Crystal of compound having JAK inhibitory action | 20160301 |
PMID | Publication Date | Title | Journal |
16279768 | 20051117 | SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors | Journal of medicinal chemistry |
9648238 | 19980501 | Insecticidal and antifungal activities of aminorhodanine derivatives | Bioscience, biotechnology, and biochemistry |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.97650510 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.97650510 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 104 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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