2-Amino-5-methyl-4-phenylthiophene-3-carbonitrile - CAS 99011-93-5
Catalog: |
BB042241 |
Product Name: |
2-Amino-5-methyl-4-phenylthiophene-3-carbonitrile |
CAS: |
99011-93-5 |
Synonyms: |
2-amino-5-methyl-4-phenyl-3-thiophenecarbonitrile; 2-amino-5-methyl-4-phenylthiophene-3-carbonitrile |
IUPAC Name: | 2-amino-5-methyl-4-phenylthiophene-3-carbonitrile |
Description: | 2-Amino-5-methyl-4-phenylthiophene-3-carbonitrile (CAS# 99011-93-5) is a useful research chemical. |
Molecular Weight: | 214.29 |
Molecular Formula: | C12H10N2S |
Canonical SMILES: | CC1=C(C(=C(S1)N)C#N)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H10N2S/c1-8-11(9-5-3-2-4-6-9)10(7-13)12(14)15-8/h2-6H,14H2,1H3 |
InChI Key: | PQPYGNLKAWFNAF-UHFFFAOYSA-N |
Boiling Point: | 388.1 ℃ at 760 mmHg |
Density: | 1.26 g/cm3 |
LogP: | 3.75858 |
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 |
AU-2017205707-A1 | Inhibitors of the PD-1/PD-L1 protein/protein interaction | 20160108 |
EP-3190103-A1 | Inhibitors of the pd-1/pd-l1 protein/protein interaction | 20160108 |
EP-3400213-A1 | Inhibitors of the pd-1/pd-l1 protein/protein interaction | 20160108 |
JP-2019502709-A | Inhibitors of PD-1 / PD-L1 protein / protein interaction | 20160108 |
US-2019016681-A1 | Inhibitors of the pd-1/pd-l1 protein/protein interaction | 20160108 |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.05646950 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.05646950 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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