| CAS Number | 1224430-39-0 |
| Catalog Number | AG00178H(AGN-PC-0WD3W4) |
| Chemical Name | 2-Thiophenecarbonitrile, 4-hexyl- |
| IUPAC Name | 4-hexylthiophene-2-carbonitrile |
| InChI | InChI=1S/C11H15NS/c1-2-3-4-5-6-10-7-11(8-12)13-9-10/h7,9H,2-6H2,1H3 |
| InChI Key | LFLOKABSZNAYLC-UHFFFAOYSA-N |
| MDL Number | MFCD18413940 |
| Molecular Formula | C11H15NS |
| Molecular Weight | 193.3085 |
| SMILES | N#CC1=CC(CCCCCC)=CS1 |
| Synonyms | 4-Hexylthiophene-2-carbonitrile,
1224430-39-0,
2-Cyano-4-hexylthiophene,
SCHEMBL820009,
4-Hexyl-2-thiophenecarbonitrile,
DTXSID30729232,
LFLOKABSZNAYLC-UHFFFAOYSA-N,
MFCD18413940,
ZINC95830628,
AKOS022174827,
AJ-134767,
AX8282300,
H1503,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.308g/mol |
| Monoisotopic Mass | 193.093g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number