2,2’-Thiobis (Ethylamine)

CAT: 0127-OR1009925-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1009925-01Size:1 g

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CAS Number

871-76-1

MDL Number

MFCD00039783

Purity

98%

Smiles

C(CSCCN)N

Chemical Information

2,2'-Thiobis(ethanamine)

a substrate of lentil seedling amine oxidase

CAS Number	871-76-1
PubChem CID	70096
IUPAC Name	2-(2-aminoethylsulfanyl)ethanamine
Molecular Formula	C4H12N2S
Molecular Weight	120.22
XLogP	-1
Topological Polar Surface Area	77.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	28

SMILES

C(CSCCN)N

InChI

InChI=1S/C4H12N2S/c5-1-3-7-4-2-6/h1-6H2

InChIKey

JONTXEXBTWSUKE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 871-76-1

CID: 70096

Formula: C4H12N2S

MW: 120.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	120.22
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	120.07211956
Monoisotopic Mass	120.07211956
Topological Polar Surface Area	77.3 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	28.9
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

Catalog	Name
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OR1030097-01	2,2'-Thiobis (4- (2-Methylheptan-2-Yl) Phenol)
OR1030391-01	6,6'-Thiobis (2,4-Dichlorophenol)
OR1009031-01	1,1’-Thiobis (naphthalen-2-ol)
OR951264-01	2- (2-Methylphenoxy) ethylamine
OR018709	2- (2-Chlorophenoxy) ethylamine
OR61209-01	2- (2-Ethoxyphenoxy) ethylamine
OR4873-01	2- (Methylthio) ethylamine

Catalog	Name
sc-476039	2,2'-Thiobis (ethylamine)
FC157363-01	2- (2-Chlorophenyl) ethylamine
913013	2‐(2‐METHOXYPHENOXY)ETHYLAMINE
279508-01	2- (2-Hydroxyphenoxy) ethylamine
262524-01	2- (2-Benzyloxyphenoxy) ethylamine
MBS6084098-01	2-(2-Benzyloxyphenoxy)ethylamine
sc-237854	2- (2-Pyridyl) ethylamine
sc-320470	2- (2-Trifluoromethylphenyl) ethylamine
276373-01	2- (2-Fluorophenoxy) ethylamine
HY-140208-01	2,2-Oxybis (ethylamine)