Methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate - CAS 350996-95-1
Catalog: |
BB046862 |
Product Name: |
Methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate |
CAS: |
350996-95-1 |
Synonyms: |
2-Amino-5-dimethylcarbamoyl-4-methylthiophene-3-carboxylic acid methyl ester; methyl 2-amino-5-(N,N-dimethylcarbamoyl)-4-methylthiophene-3-carboxylate; Methyl 2-amino-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate; Thiophene-3-carboxylic acid, 2-amino-4-methyl-5-dimethylaminocarbonyl-, methyl ester |
IUPAC Name: | methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate |
Description: | Methyl 2-amino-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS# 350996-95-1 ) is a useful research chemical. |
Molecular Weight: | 242.30 |
Molecular Formula: | C10H14N2O3S |
Canonical SMILES: | CC1=C(SC(=C1C(=O)OC)N)C(=O)N(C)C |
InChI: | InChI=1S/C10H14N2O3S/c1-5-6(10(14)15-4)8(11)16-7(5)9(13)12(2)3/h11H2,1-4H3 |
InChI Key: | WDWQGNNCVALKRI-UHFFFAOYSA-N |
Boiling Point: | 441.8±45.0 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.3±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.07251349 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.07251349 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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