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2- (Morpholin-4-yl) ethanethioamide

CAT: 0926-RAA88843-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-RAA88843-02Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16888-43-0
MDL Number
MFCD09948450
Smiles
C1COCCN1CC (=S) N
Molecular Formula
C6H12N2OS
Molecular Weight
160.24 g/mol
Controlled
No

Chemical Information

2-(Morpholin-4-yl)ethanethioamide
CAS Number16888-43-0
PubChem CID3847634
IUPAC Name2-morpholin-4-ylethanethioamide
Molecular FormulaC6H12N2OS
Molecular Weight160.24
XLogP-0.6
Topological Polar Surface Area70.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity123
SMILES
C1COCCN1CC(=S)N
InChI
InChI=1S/C6H12N2OS/c7-6(10)5-8-1-3-9-4-2-8/h1-5H2,(H2,7,10)
InChIKey
YGGSOGJTEGANMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Morpholin-4-yl)ethanethioamide
CAS: 16888-43-0
CID: 3847634
Formula: C6H12N2OS
MW: 160.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.24
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass160.06703418
Monoisotopic Mass160.06703418
Topological Polar Surface Area70.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity123
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
sc-3454632-[2- (morpholin-4-ylmethyl) -4-oxoquinazolin-3 (4H) -yl]ethanethioamide
sc-3404452- (pyrrolidin-1-yl) ethanethioamide
sc-3404692- (thiophen-2-yl) ethanethioamide
GTR19252271-012- (4-Methoxyphenoxy) ethanethioamide
413789-012- (4-Fluorophenyl) ethanethioamide
413667-012- (4-Bromophenyl) ethanethioamide
sc-2738762- (4-fluorophenoxy) ethanethioamide
sc-339972A2- (4-methylphenoxy) ethanethioamide
sc-340951A2-[4- (4-methylphenyl) -1,3-thiazol-2-yl]ethanethioamide
sc-356302A2- (4-nitrophenyl) ethanethioamide

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