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Pentyl=thiocyanatoacetate

CAS 5439-31-6C8H13NO2SMW 187.26

Pentyl=thiocyanatoacetate (CAS 5439-31-6) — formula C8H13NO2S, molecular weight 187.26; category organic chemicals.

Product Description

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.

Product Overview

CAS Number5439-31-6
Molecular FormulaC8H13NO2S
Molecular Weight187.26
LogP2.6
CategoryOrganic Chemicals

Technical Profile

What this product is

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.

Identification

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

Frequently Asked Questions

What is the CAS number of Pentyl=thiocyanatoacetate?

The CAS registry number of Pentyl=thiocyanatoacetate is 5439-31-6.

What is the molecular formula and molecular weight of Pentyl=thiocyanatoacetate?

Molecular formula C8H13NO2S, molecular weight 187.26.

What other names is Pentyl=thiocyanatoacetate known by?

It is also registered under: Pentyl=thiocyanatoacetate, 戊基=硫氰酸乙酸酯.

Which category does Pentyl=thiocyanatoacetate belong to?

Category: Organic Chemicals.

Packaging & documentation

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.

PubChem Public Data

Independent reference data for Pentyl=thiocyanatoacetate (CAS 5439-31-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Number5439-31-6
PubChem CID21580
Molecular FormulaC8H13NO2S
IUPAC Namepentyl 2-thiocyanatoacetate
UNII (FDA)JFO57AKU2O

Computed descriptors

Molecular Weight187.26
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass187.06669983
Monoisotopic Mass187.06669983
Topological Polar Surface Area75.4
Heavy Atom Count12

Synonyms and trade names

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.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 戊基=硫氰酸乙酸酯

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