Iodoethane-d5

CAT: 0926-FI168650-04Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FI168650-04Size:10 g

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CAS Number

6485-58-1

Smiles

[2H]C ([2H]) ([2H]) C ([2H]) ([2H]) I

Molecular Formula

CD3CD2I

Molecular Weight

160.99 g/mol

Controlled

Chemical Information

Ethane-d5, iodo-

See also: Iodoethane (annotation moved to).

CAS Number	6485-58-1
PubChem CID	2724853
IUPAC Name	1,1,1,2,2-pentadeuterio-2-iodoethane
Molecular Formula	C2H5I
Molecular Weight	161.00
XLogP	2.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	3
Formal Charge	0
Complexity	2

SMILES

[2H]C([2H])([2H])C([2H])([2H])I

InChI

InChI=1S/C2H5I/c1-2-3/h2H2,1H3/i1D3,2D2

InChIKey

HVTICUPFWKNHNG-ZBJDZAJPSA-N

Chemical Structure

2D Structure

CAS: 6485-58-1

CID: 2724853

Formula: C2H5I

MW: 161.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.00
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	160.97498
Monoisotopic Mass	160.97498
Topological Polar Surface Area	0 Å²
Heavy Atom Count	3
Formal Charge	0
Complexity	2.8
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FI44407-01	Iodoethane - stabilized with Copper chip
FF87523-01	1-Fluoro-2-iodoethane
FO26530-01	2- (4-Octylphenyl) -1-iodoethane
YCA73805-01	Phenobarbital-d5 (ethyl-d5)
LBC58892-01	(±) -Mdea-d5 hydrochloride (ethyl-d5)
SYB64864-01	(R) -Norfluoxetine-d5 (phenyl-d5)
NXB26534-01	Norfluoxetine-d5 hydrochloride (phenyl-d5)
SYB84403-01	Tosedostat-d5
SYB71612-01	Zofenoprilat-d5
SYB63323-01	Deltamethrin-d5

Catalog	Name
164504-01	Iodoethane-d5
TRC-I705872-1G	Iodoethane-d5 (stabilized with Copper wire)
I03050-01	Iodoethane
HY-W131797-01	1-Iodoethane-1,1,2,2,2-d5
CS-O-10123	Iodoethane-d3
OR16933-01	1-Iodoethane
452415-01	Iodoethane-13C2
TRC-I705870-100G	Iodoethane (Stabilized with Copper)
sc-235369	Iodoethane-1-13C
I705876	Iodoethane-2-d1