Pentyl=thiocyanatoacetate (CAS 5439-31-6) — formula C8H13NO2S, molecular weight 187.26; category organic chemicals.
Pentyl=thiocyanatoacetate (CAS 5439-31-6) is a chemical raw material in the organic chemicals category. Its molecular formula C8H13NO2S comprises 8 C, 13 H, 1 N, 2 O, 1 S atoms. Its molecular weight is about 187.26. Reported physicochemical data: LogP about 2.6. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 5439-31-6 |
|---|---|
| Molecular Formula | C8H13NO2S |
| Molecular Weight | 187.26 |
| LogP | 2.6 |
| Category | Organic Chemicals |
Pentyl=thiocyanatoacetate is a carbon-based organic compound with CAS registry number 5439-31-6 and molecular formula C8H13NO2S (molecular weight 187.26), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5439-31-6
Its molecular formula C8H13NO2S comprises 8 C, 13 H, 1 N, 2 O, 1 S atoms.
Also known as: Pentyl=thiocyanatoacetate · 戊基=硫氰酸乙酸酯
Category: organic chemicals
The CAS registry number of Pentyl=thiocyanatoacetate is 5439-31-6.
Molecular formula C8H13NO2S, molecular weight 187.26.
It is also registered under: Pentyl=thiocyanatoacetate, 戊基=硫氰酸乙酸酯.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for Pentyl=thiocyanatoacetate (CAS 5439-31-6), compiled from public chemistry databases.
| CAS Number | 5439-31-6 |
|---|---|
| PubChem CID | 21580 |
| Molecular Formula | C8H13NO2S |
| IUPAC Name | pentyl 2-thiocyanatoacetate |
| UNII (FDA) | JFO57AKU2O |
| Molecular Weight | 187.26 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 187.06669983 |
| Monoisotopic Mass | 187.06669983 |
| Topological Polar Surface Area | 75.4 |
| Heavy Atom Count | 12 |
5439-31-6; Pentyl thiocyanatoacetate; ACETIC ACID, THIOCYANATO-, PENTYL ESTER; JFO57AKU2O; NSC-15095; DTXSID40202763; RefChem:1094571; DTXCID70125254; Thiocyanatoacetic acid pentyl ester; Thiocyano-essigsaeure-N-amyl-ester; NSC 15095; Thiocyano-essigsaeure-N-amyl-ester [German]; UNII-JFO57AKU2O; WLN: NCS1VO5; Pentyl (thiocyanato)acetate; NSC15095
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 戊基=硫氰酸乙酸酯