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Propyl Isothiocyanate - >98.0%(GC), high purity , CAS No.628-30-8

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Propyl Isothiocyanate - >98.0%(GC), high purity , CAS No.628-30-8

COA

Grade & Purity:

≥98%(GC)

Cas Number: 628-30-8
Molecular Weight: 101.17
Beilstein Registry Number: 1740199
EC Number: 211-035-8
MDL number: MFCD00004823
PubChem CID: 69403

In stock

Item Number

P140610

Grouped product items
SKU	Size	Availability	Price
P140610-5ml	5ml	3	$39.90
P140610-25ml	25ml	3	$117.90
P140610-100ml	100ml	3	$424.90
P140610-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,908.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	Isothiocyanic acid, propyl ester \| FT-0627524 \| J-670001 \| D91136 \| AI3-37783 \| J-802263 \| 1-isothiocynatopropane \| 1-Isothiocyanatopropane \| 1-isothiocyanato-propane \| Propane, 1-isothiocyanato- \| 1-propyl isothiocyanate \| DTXSID50211881 \| EINECS 211-035
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Propyl isothiocyanate has been tested as fumigant against the larvae of a caribbean fruit fly Anastrepha suspense. Propyl isothiocyanate has been employed as internal standard in the analysis of low-volatility sulphur compounds in wines using solid-phase microextraction and GC.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Isothiocyanates

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Isothiocyanates
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isothiocyanates
Alternative Parents	Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

LoVo (4724 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Pectobacterium carotovorum (295 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rhizoctonia solani (2251 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-isothiocyanatopropane
INCHI	InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3
InChIKey	KKASGUHLXWAKEZ-UHFFFAOYSA-N
Smiles	CCCN=C=S
Isomeric SMILES	CCCN=C=S
WGK Germany	3
PubChem CID	69403
UN Number	2924
Packing Group	II
Molecular Weight	101.17
Beilstein	1740199
Reaxy-Rn	1740199

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
D23031296	Certificate of Analysis	Dec 15, 2022	P140610
D2304022	Certificate of Analysis	Dec 15, 2022	P140610
D2304023	Certificate of Analysis	Dec 15, 2022	P140610
D23031292	Certificate of Analysis	Dec 15, 2022	P140610

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Refractive Index	1.504
Flash Point(°F)	5 °F
Flash Point(°C)	-15°C
Boil Point(°C)	153°C
Molecular Weight	101.170 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	101.03 Da
Monoisotopic Mass	101.03 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	63.900
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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Propyl Isothiocyanate - >98.0%(GC), high purity , CAS No.628-30-8

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reviews

Customer Reviews