3-[(2-Ethylpyrazol-3-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid - CAS 1171417-13-2
Catalog: |
BB052686 |
Product Name: |
3-[(2-Ethylpyrazol-3-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid |
CAS: |
1171417-13-2 |
Synonyms: |
3-(N-((1-Ethyl-1H-pyrazol-5-yl)methyl)-N-methylsulfamoyl)thiophene-2-carboxylic acid |
IUPAC Name: | 3-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid |
Molecular Weight: | 329.4 |
Molecular Formula: | C12H15N3O4S2 |
Canonical SMILES: | CCN1C(=CC=N1)CN(C)S(=O)(=O)C2=C(SC=C2)C(=O)O |
InChI: | InChI=1S/C12H15N3O4S2/c1-3-15-9(4-6-13-15)8-14(2)21(18,19)10-5-7-20-11(10)12(16)17/h4-7H,3,8H2,1-2H3,(H,16,17) |
InChI Key: | MXHRMFLVMJIBHF-UHFFFAOYSA-N |
Boiling Point: | 556.3±60.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 479 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 329.05039832 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 329.05039832 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 129 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
-
Catalog: BB046900
(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine
Detail
-
Catalog: BB045656
([5-(1-Ethyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]thio)acetic acid
Detail
-
Catalog: BB052887
(1,5-Diethylpyrazol-4-yl)methylamine
Detail
-
Catalog: BB053510
(1,3-Dimethyl-1H-pyrazol-4-yl)methylamine hydrochloride
Detail
-
Catalog: BB050789
(1,4-Dimethyl-1H-pyrazol-5-yl)methanol
Detail
-
Catalog: BB045654
((4-Ethyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl)thio)acetic acid
Detail
-
Catalog: BB051687
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-5-yl)methanol
Detail
-
Catalog: BB014397
(1,3,5-Trimethyl-1H-pyrazol-4-yl)methanol
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Pyrazoles
Sulfur Compounds
Thiophenes
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS