N, N'-Didodecyl Dithiooxamide

CAT: 0127-OR1028384-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1028384-01Size:250 mg

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CAS Number

120-88-7

Synonyms

N, N'-didodecylethanedithioamide

Purity

97%

Smiles

CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC

Chemical Information

N,N'-Didodecyldithiooxamide

CAS Number	120-88-7
PubChem CID	3032290
IUPAC Name	N,N'-didodecylethanedithioamide
Molecular Formula	C26H52N2S2
Molecular Weight	456.8
XLogP	11.6
Topological Polar Surface Area	88.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	22
Heavy Atom Count	30
Formal Charge	0
Complexity	349

SMILES

CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC

InChI

InChI=1S/C26H52N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(29)26(30)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)

InChIKey

MQCQUDOKUAAVFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120-88-7

CID: 3032290

Formula: C26H52N2S2

MW: 456.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	456.8
XLogP3	11.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	22
Exact Mass	456.35719201
Monoisotopic Mass	456.35719201
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	349
Isotope Atom Count	0
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

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Catalog	Name
D18820-01	N, N'-Didodecyl dithiooxamide
B12220-01	N, N'-Bis (carboxymethyl) dithiooxamide
B14240-01	N, N'-Bis (2-Hydroxyethyl) dithiooxamide
GX7065-25g	Dithiooxamide
274446-01	N, N-Didodecyl methylamine
AR-M03514-01	N, N-didodecyl octanamide
AR-M03513-01	N, N-Didodecyl butanamide
D54700-01	Dithiooxamide 98%
RG-D090402-01	Didodecyl Phthalate
079395-01	Dithiooxamide (Rubeanic Acid)