| CAS Number | 16536-95-1 |
| Catalog Number | AG00AQQP(AGN-PC-0KO6U4) |
| Chemical Name | 3-methylbutanethioamide |
| IUPAC Name | 3-methylbutanethioamide |
| InChI | InChI=1S/C5H11NS/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7) |
| InChI Key | NFWCTMFZCLAVSD-UHFFFAOYSA-N |
| MDL Number | MFCD09802576 |
| Molecular Formula | C5H11NS |
| Molecular Weight | 117.2125 |
| SMILES | CC(C)CC(N)=S |
| Synonyms | 3-methylbutanethioamide,
16536-95-1,
Butanethioamide, 3-methyl-,
Butyramide, 3-methylthio-,
Isovalerothioamide,
3-methyl-thiobutyramide,
AC1MHX6V,
AC1Q1P4Q,
SCHEMBL2141202,
DTXSID1066077,
CTK6A6485,
NFWCTMFZCLAVSD-UHFFFAOYSA-N,
ZINC19278464,
AKOS000155598,
AB52630,
NE41234,
EN300-64125,
C5-H11-N-S,
CID3034257,
|
| Complexity | 68.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 117.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 117.21g/mol |
| Monoisotopic Mass | 117.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number