| CAS Number | 79203-77-3 |
| Catalog Number | AG003RW8(AGN-PC-0WCYID) |
| Chemical Name | Methyl 4-thiocyanatobutanoate |
| IUPAC Name | methyl 4-thiocyanatobutanoate |
| InChI | InChI=1S/C6H9NO2S/c1-9-6(8)3-2-4-10-5-7/h2-4H2,1H3 |
| InChI Key | CXIRKFBWHMNISK-UHFFFAOYSA-N |
| MDL Number | MFCD15143541 |
| Molecular Formula | C6H9NO2S |
| Molecular Weight | 159.2062 |
| SMILES | COC(=O)CCCSC#N |
| Synonyms | METHYL 4-THIOCYANATOBUTANOATE,
79203-77-3,
ACMC-209pgl,
Methyl 4-(thiocyanato)butanoate,
CTK5E6578,
DTXSID00681818,
ANW-37267,
MFCD15143541,
ZINC65336995,
AKOS006333277,
TR-037851,
B-3986,
I09-2164,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.203g/mol |
| Monoisotopic Mass | 159.035g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.4A^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