5-Amino-2-(methylthio)pyrimidine-4-carboxylic Acid - CAS 100130-05-0
Catalog: |
BB000097 |
Product Name: |
5-Amino-2-(methylthio)pyrimidine-4-carboxylic Acid |
CAS: |
100130-05-0 |
Synonyms: |
5-amino-2-(methylthio)-4-pyrimidinecarboxylic acid; 5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid |
IUPAC Name: | 5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid |
Description: | 5-Amino-2-(methylthio)pyrimidine-4-carboxylic Acid (CAS# 100130-05-0) is a versatile reactant used in the preparation of helicene analogs. |
Molecular Weight: | 185.20 |
Molecular Formula: | C6H7N3O2S |
Canonical SMILES: | CSC1=NC=C(C(=N1)C(=O)O)N |
InChI: | InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11) |
InChI Key: | NTEPDMJNOBYJHJ-UHFFFAOYSA-N |
Boiling Point: | 434.973 °C at 760 mmHg |
Density: | 1.538 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 1.06010 |
Publication Number | Title | Priority Date |
CN-110983390-A | Composition for surface treatment of aluminum strip flexible connection | 20191220 |
CN-110983390-B | Composition for surface treatment of aluminum strip flexible connection | 20191220 |
WO-2020011921-A1 | P2x3 receptor antagonists | 20180712 |
AU-2019300335-A1 | P2X3 receptor antagonists | 20180712 |
BR-112021000103-A2 | COMPOUND, PHARMACEUTICAL COMPOSITION, AND COMPOUND FOR USE IN THE TREATMENT OR PREVENTION OF PAIN, CHRONIC PAIN AND PAIN FROM CANCER, ADDITION AND TOLERANCE TO ANALGESIC, DISTURBANCES AND RESPIRATORY DYSFUNCTION SELECTED FROM THE THERAPY AND THERAPY, THERAPY, THERAPY AND STRESSED HYPERACTIVE, URINARY INCONTINENCE, PAINFUL BLADDER SYNDROME, DYSURY AND ENDOMETRIOSIS, SELECTED CARDIOVASCULAR DISORDERS BETWEEN IRRITABLE INTESTINE SYNDROME (IBS) AND EARLY MOUTH EYES | 20180712 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.02589765 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.02589765 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 114 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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