3-Cyano-1-butyl-2-methylisothiourea
methyl N'-butyl-N-cyanocarbamimidothioate
Also Known As: 3-Cyano-1-butyl-2-methylisothiourea|methyl N'-butyl-N-cyanocarbamimidothioate|1-Butyl-3-cyano-2-methylisothiourea|N-Butyl-N'-cyano-S-methylisothiourea|1-butyl-3-cyano-2-methyl-isothiourea|methyl N-(n-butyl)-N'-cyanocarbamimidothioate|N'-butyl-N-cyanocarbamimidothioic acid methyl ester
CAS: 5848-28-2
| Molecular Formula | C7H13N3S |
|---|---|
| Molecular Weight | 171.08302 g/mol |
| LogP | 1.57618 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.08302 |
| Monoisotopic Mass | 171.08302 |
| Heavy Atoms | 11 |
| Complexity | 159.55885 |
Chemical Identifiers
| CAS Number | 5848-28-2 |
|---|---|
| SMILES | CCCCN=C(NC#N)SC |
Product Overview
3-Cyano-1-butyl-2-methylisothiourea (CAS 5848-28-2), with molecular formula C7H13N3S and molecular weight 171.08302 g/mol. IUPAC: methyl N'-butyl-N-cyanocarbamimidothioate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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3-Cyano-1-butyl-2-methylisothiourea is a custom synthesis product. We offer services from milligram to kilogram scale.
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