5-AMINO-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER - CAS 23903-46-0
Catalog: |
BB043226 |
Product Name: |
5-AMINO-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER |
CAS: |
23903-46-0 |
Synonyms: |
Ethyl 5-amino-4-cyano-3-methyl-2-thiophenecarboxylate; 5-Amino-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester; Thiophene-2-carboxylic acid, 5-amino-4-cyano-3-methyl-, ethyl ester |
IUPAC Name: | ethyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate |
Description: | 5-AMINO-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER (CAS# 23903-46-0 ) is a useful research chemical. |
Molecular Weight: | 210.26 |
Molecular Formula: | C9H10N2O2S |
Canonical SMILES: | CCOC(=O)C1=C(C(=C(S1)N)C#N)C |
InChI: | InChI=1S/C9H10N2O2S/c1-3-13-9(12)7-5(2)6(4-10)8(11)14-7/h3,11H2,1-2H3 |
InChI Key: | NCCMCRFYSZRBBG-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.04629874 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.04629874 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 104 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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