| CAS Number | 68881-66-3 |
| Catalog Number | AG006FZ0(AGN-PC-0NJ1PD) |
| Chemical Name | Azepane-1-carbothioamide |
| IUPAC Name | azepane-1-carbothioamide |
| InChI | InChI=1S/C7H14N2S/c8-7(10)9-5-3-1-2-4-6-9/h1-6H2,(H2,8,10) |
| InChI Key | QSQNPWDEVCHJJC-UHFFFAOYSA-N |
| MDL Number | MFCD09055277 |
| Molecular Formula | C7H14N2S |
| Molecular Weight | 158.2645 |
| SMILES | C(N)(=S)N1CCCCCC1 |
| Synonyms | Azepane-1-carbothioamide,
68881-66-3,
1-AZEPANECARBOTHIOAMIDE,
SCHEMBL8112681,
CTK5C8585,
DTXSID30499185,
MFCD09055277,
ZINC15016499,
Azepane-1-carbothioamide, AldrichCPR,
AKOS000145066,
AJ-66753,
BB 0218352,
Y-5104,
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| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.263g/mol |
| Monoisotopic Mass | 158.088g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number