| CAS Number | 704890-84-6 |
| Catalog Number | AG00FHT6(AGN-PC-0OGWMM) |
| Chemical Name | 2-((5'-bromo-2,2'-bithiophen-5-yl)methylene)malononitrile |
| IUPAC Name | 2-[[5-(5-bromothiophen-2-yl)thiophen-2-yl]methylidene]propanedinitrile |
| InChI | InChI=1S/C12H5BrN2S2/c13-12-4-3-11(17-12)10-2-1-9(16-10)5-8(6-14)7-15/h1-5H |
| InChI Key | GZLRCTASJSGPHL-UHFFFAOYSA-N |
| MDL Number | MFCD06214120 |
| Molecular Formula | C12H5BrN2S2 |
| Molecular Weight | 321.2155 |
| SMILES | BrC1=CC=C(S1)C=1SC(=CC1)C=C(C#N)C#N |
| Synonyms | 704890-84-6,
2-[(5'-Bromo-[2,2'-bithiophen]-5-yl)methylene]malononitrile,
2-((5'-bromo-2,2'-bithiophen-5-yl)methylene)malononitrile,
2-((5'-bromo-[2,2'-bithiophen]-5-yl)methylene)malononitrile,
SCHEMBL15105764,
GZLRCTASJSGPHL-UHFFFAOYSA-N,
ZINC219538377,
B5458,
2-(5'-Bromo-2,2'-bithiophene-5-ylmethylene)malononitrile,
2-[(5'-Bromo-[2,2'-bithiophen]-5-yl)methylene]propanedinitrile,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.908g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.21g/mol |
| Monoisotopic Mass | 319.908g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number