| CAS Number | 1208077-46-6 |
| Catalog Number | AG00HFRT(AGN-PC-0WC5J9) |
| Chemical Name | 4-Butylthiobenzamide |
| IUPAC Name | 4-butylbenzenecarbothioamide |
| InChI | InChI=1S/C11H15NS/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H2,12,13) |
| InChI Key | LMQJGHURUMNXOX-UHFFFAOYSA-N |
| MDL Number | MFCD09025670 |
| Molecular Formula | C11H15NS |
| Molecular Weight | 193.3085 |
| SMILES | NC(C1=CC=C(CCCC)C=C1)=S |
| Synonyms | 4-Butylthiobenzamide,
1208077-46-6,
4-butylbenzene-1-carbothioamide,
4-n-butylthiobenzamide,
4-butylbenzenecarbothioamide,
SCHEMBL6889098,
CTK6D6359,
MFCD09025670,
ZINC36533318,
(4-n-Butyl)thiobenzamide, AldrichCPR,
AKOS006290551,
TR-071461,
C-6403,
|
| Complexity | 160 |
| 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 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.308g/mol |
| Monoisotopic Mass | 193.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number