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(R)-(-)-2-Heptyl isothiocyanate - 98%, high purity , CAS No.737000-93-0

COA

Grade & Purity:

≥98%

Cas Number: 737000-93-0
Molecular Weight: 157.28
MDL number: MFCD05664051
PubChem CID: 7018248

In stock

Item Number

R300502

Grouped product items
SKU	Size	Availability	Price	Qty
R300502-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$348.90

Basic Description

Synonyms	(R)-(-)-2-Heptyl isothiocyanate \| 737000-93-0 \| (2R)-2-ISOTHIOCYANATOHEPTANE \| DTXSID801309174 \| AKOS025295675 \| BP-12878 \| BS-22577
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 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 - 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

Names and Identifiers

IUPAC Name	(2R)-2-isothiocyanatoheptane
INCHI	InChI=1S/C8H15NS/c1-3-4-5-6-8(2)9-7-10/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKey	UPTLUDLHIIYPNC-MRVPVSSYSA-N
Smiles	CCCCCC(C)N=C=S
Isomeric SMILES	CCCCC[C@@H](C)N=C=S
PubChem CID	7018248
Molecular Weight	157.28

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	157.280 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	157.093 Da
Monoisotopic Mass	157.093 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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