| CAS Number | 156589-97-8 |
| Catalog Number | AG001OTS(AGN-PC-03KZPM) |
| Chemical Name | Cyclobutanecarbothioamide |
| IUPAC Name | cyclobutanecarbothioamide |
| InChI | InChI=1S/C5H9NS/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H2,6,7) |
| InChI Key | TTWOGACPCNPSNB-UHFFFAOYSA-N |
| MDL Number | MFCD09757542 |
| Molecular Formula | C5H9NS |
| Molecular Weight | 115.1967 |
| SMILES | S=C(C1CCC1)N |
| Synonyms | CYCLOBUTANECARBOTHIOAMIDE,
156589-97-8,
cyclobutancarbothioamide,
SCHEMBL1127536,
CTK4C9119,
DTXSID10622838,
TTWOGACPCNPSNB-UHFFFAOYSA-N,
ZINC44960021,
AKOS006239263,
NE17883,
DB-011220,
FT-0750047,
F10045,
F1913-0023,
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| Complexity | 86.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.194g/mol |
| Monoisotopic Mass | 115.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number