| CAS Number | 400740-51-4 |
| Catalog Number | AG01AHK2(AGN-PC-0WO2HP) |
| Chemical Name | 5-[(thiophen-3-yl)methyl]-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C7H7N3S2/c8-7-10-9-6(12-7)3-5-1-2-11-4-5/h1-2,4H,3H2,(H2,8,10) |
| InChI Key | IXDWAOROOBGUEU-UHFFFAOYSA-N |
| MDL Number | MFCD02656600 |
| Molecular Formula | C7H7N3S2 |
| Molecular Weight | 197.2806 |
| SMILES | NC1SC(CC2=CSC=C2)=NN=1 |
| Synonyms | 5-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine,
400740-51-4,
SCHEMBL3733435,
ZINC8727073,
AKOS009839110,
MCULE-5882237013,
NE57747,
FT-0756615,
EN300-74993,
5-[(thiophen-3-yl)methyl]-1,3,4-thiadiazol-2-amine,
Z1266933899,
5-(3-thienylmethyl)-1,3,4-thiadiazol-2-amine,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.274g/mol |
| Monoisotopic Mass | 197.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number