| CAS Number | 57021-49-5 |
| Catalog Number | AG003FU6(AGN-PC-0N7G0O) |
| Chemical Name | 3,5-Dimethyl-2-phenylthiophene |
| IUPAC Name | 3,5-dimethyl-2-phenylthiophene |
| InChI | InChI=1S/C12H12S/c1-9-8-10(2)13-12(9)11-6-4-3-5-7-11/h3-8H,1-2H3 |
| InChI Key | RLISGGFOYMIIRQ-UHFFFAOYSA-N |
| MDL Number | MFCD00173406 |
| Molecular Formula | C12H12S |
| Molecular Weight | 188.2887 |
| SMILES | Cc1cc(C)c(s1)-c1ccccc1 |
| Synonyms | 2,4-Dimethyl-5-phenylthiophene,
57021-49-5,
3,5-Dimethyl-2-phenylthiophene,
ACMC-209lvg,
SCHEMBL15818163,
CTK5A6166,
DTXSID50442395,
ANW-32618,
MFCD08276354,
ZINC39075050,
AKOS025394756,
TRA0070052,
KS-0000178Q,
TC-121363,
D3228,
I14-62239,
3,5-dimethyl-2-phenyl-thiophene,
CID10607839,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.288g/mol |
| Monoisotopic Mass | 188.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number