| CAS Number | 4714-70-9 |
| Catalog Number | AG01BS9K |
| Chemical Name | 4-(ethylamino)benzene-1-carbothioamide |
| IUPAC Name | 4-(ethylamino)benzenecarbothioamide |
| InChI | InChI=1S/C9H12N2S/c1-2-11-8-5-3-7(4-6-8)9(10)12/h3-6,11H,2H2,1H3,(H2,10,12) |
| InChI Key | WPPRYWUREBBZDG-UHFFFAOYSA-N |
| MDL Number | MFCD11135397 |
| Molecular Formula | C9H12N2S |
| Molecular Weight | 180.2700 |
| SMILES | CCNC1=CC=C(C(N)=S)C=C1 |
| Synonyms | 4- Ethylamino-benzothioamid,
4-(ethylamino)benzenecarbothioamide,
4-(ethylamino)benzene-1-carbothioamide,
4714-70-9,
AC1MHOJJ,
4-Ethylamino-thiobenzamide,
ZINC19866594,
AKOS000218392,
AIDS209340,
CID3008545,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.269g/mol |
| Monoisotopic Mass | 180.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number