2-Amino-5-methyl-3-thiophenecarbonitrile - CAS 138564-58-6
Catalog: |
BB008779 |
Product Name: |
2-Amino-5-methyl-3-thiophenecarbonitrile |
CAS: |
138564-58-6 |
Synonyms: |
2-amino-5-methyl-3-thiophenecarbonitrile; 2-amino-5-methylthiophene-3-carbonitrile |
IUPAC Name: | 2-amino-5-methylthiophene-3-carbonitrile |
Description: | An impurity generated in the preparation of Olanzapine. |
Molecular Weight: | 138.19 |
Molecular Formula: | C6H6N2S |
Canonical SMILES: | CC1=CC(=C(S1)N)C#N |
InChI: | InChI=1S/C6H6N2S/c1-4-2-5(3-7)6(8)9-4/h2H,8H2,1H3 |
InChI Key: | YGXADLPRHBRTPG-UHFFFAOYSA-N |
Boiling Point: | 318.5 ℃ at 760 mmHg |
Density: | 1.26 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 ℃ |
MDL: | MFCD01626055 |
LogP: | 2.09158 |
GHS Hazard Statement: | H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
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 |
WO-2019018359-A1 | THIENO [2,3-D] PYRIMIDINES AND BENZOFURO (3,2-D) PYRIMIDINES USEFUL AS ANTIMICROBIAL AGENTS | 20170717 |
AU-2016102258-A4 | Olanzapine pharmaceutical intermediate 2-(o-nitrophenyl) -3-cyano-5-methyl-thiophene synthesis method | 20151224 |
CN-105503821-A | Synthetic method of 2-(o-nitrophenylamino)-3-cyano-5-methylthiophene as olanzapine intermediate | 20151224 |
CN-106397396-A | Synthesis method of olanzapine medicine intermediate of 2-(o-nitrobenzene amino)-3-cyan-5-methylthiophene | 20151224 |
AU-2016282289-A1 | HPK1 inhibitors and methods of using same | 20150625 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.02516937 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.02516937 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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