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2- (Methylthio) ethylamine

CAT: 0024-sc-237876Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-237876Size:1 g
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CAS Number
18542-42-2

Chemical Information

(2-(Methylthio)ethyl)amine
CAS Number18542-42-2
PubChem CID87697
IUPAC Name2-methylsulfanylethanamine
Molecular FormulaC3H9NS
Molecular Weight91.18
XLogP-0.1
Topological Polar Surface Area51.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count5
Formal Charge0
Complexity16
SMILES
CSCCN
InChI
InChI=1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3
InChIKey
CYWGSFFHHMQKET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-(Methylthio)ethyl)amine
CAS: 18542-42-2
CID: 87697
Formula: C3H9NS
MW: 91.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight91.18
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass91.04557046
Monoisotopic Mass91.04557046
Topological Polar Surface Area51.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity16.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR4873-012- (Methylthio) ethylamine
OR953116-012-[2- (Methylthio) phenoxy]ethylamine
OR951874-012-[4- (Methylthio) phenoxy]ethylamine
458256-01N-Boc-2- (methylthio) ethylamine
TRC-B657055-10GN-Boc-2-(methylthio)ethylamine
TRC-B657057-25MGN-Boc-2-(methylthio)ethylamine-d3
458257-01N-Boc-2- (methylthio) ethylamine-d3
PC101602-[4,6-Bis (2,2,2-trifluoroethoxy) pyrimidin-2-yl) methylthio]ethylamine
GTR19237247-01Ethylamine
CS-O-16216Ethylamine D5

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