3- (Methylthio) propylamine

CAT: 0127-OR12831-01Size: 1 gDry Ice: NoHazardous: No

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CAS Number

4104-45-4

Synonyms

3- (Methylsulphanyl) propylamine, 3-Aminopropyl methyl sulphide

MDL Number

MFCD00041898

Purity

98%

Smiles

CSCCCN

Chemical Information

3-(Methylthio)propylamine

3-methylthiopropylamine is a derivative of propylamine having a methylmercapto group at the 3-position. It is an organic sulfide and a primary amino compound. It is functionally related to a 3-aminopropane-1-thiol and a propylamine. It is a conjugate base of a 3-methylthiopropylaminium.

CAS Number	4104-45-4
PubChem CID	77743
IUPAC Name	3-methylsulfanylpropan-1-amine
Molecular Formula	C4H11NS
Molecular Weight	105.20
XLogP	0.3
Topological Polar Surface Area	51.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	6
Formal Charge	0
Complexity	23

SMILES

CSCCCN

InChI

InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3

InChIKey

KKYSBGWCYXYOHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4104-45-4

CID: 77743

Formula: C4H11NS

MW: 105.20

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	105.20
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	105.06122053
Monoisotopic Mass	105.06122053
Topological Polar Surface Area	51.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	23.5
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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Alternative Products

Catalog	Name
TRC-M725905-500MG	3-(Methylthio)propylamine
sc-231384	3- (Methylthio) propylamine
GTR19237242-01	Propylamine
TRC-P833700-250ML	1-Propylamine
90026298-25g	Propylamine hydrochloride
GTR19254964-01	Propylamine Hydrobromide
MBS5769522	Methyltetrazine-propylamine
29120-82	N-Propylamine
S-3205	Propylamine - 1ML
I823983	iso-Propylamine-d9

3- (Methylthio) propylamine

Chemical Information

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