Propargite

CAT: 1299-RG-A260631-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260631-03Size:50 mg

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CAS Number

2312-35-8

Synonyms

Propargite

Molecular Formula

C19H26O4S

Molecular Weight

350.47

Target Alternative Name

Propargite

Product Name Synonym

Propargite

Chemical Information

Propargite

Propargite can cause cancer and developmental toxicity according to The Environmental Protection Agency (EPA).

CAS Number	2312-35-8
PubChem CID	4936
IUPAC Name	[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite
Molecular Formula	C19H26O4S
Molecular Weight	350.5
XLogP	5
Topological Polar Surface Area	64
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	454

SMILES

CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C

InChI

InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3

InChIKey

ZYHMJXZULPZUED-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2312-35-8

CID: 4936

Formula: C19H26O4S

MW: 350.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.5
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	350.15518048
Monoisotopic Mass	350.15518048
Topological Polar Surface Area	64 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	454
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-B2028-01	Propargite
CS-T-103527	Propargite-D13
HY-B2028R	Propargite (Standard)
AR-P03059-01	Propargite Impurity A
AR-P03062-01	Propargite Impurity E
AR-P03063-01	Propargite Impurity G
TRC-P762500-1G	Propargite(Mixture of Diastereomers)
AR-P03064-01	Propargite Impurity I
AR-P03066-01	Propargite Impurity P
AR-P03060-01	Propargite Impurity B