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2- (4-Aminophenyl) ethanethioamide

CAT: 0926-EBC87310-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-EBC87310-01Size:100 mg
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CAS Number
1279873-10-7
MDL Number
MFCD21117350
Smiles
NC (=S) Cc1ccc (N) cc1
Molecular Formula
C8H10N2S
Molecular Weight
166.25 g/mol
Controlled
No

Chemical Information

2-(4-Aminophenyl)ethanethioamide
CAS Number1279873-10-7
PubChem CID64981449
IUPAC Name2-(4-aminophenyl)ethanethioamide
Molecular FormulaC8H10N2S
Molecular Weight166.25
XLogP0.1
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
C1=CC(=CC=C1CC(=S)N)N
InChI
InChI=1S/C8H10N2S/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKey
WVGPISGPROQYCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Aminophenyl)ethanethioamide
CAS: 1279873-10-7
CID: 64981449
Formula: C8H10N2S
MW: 166.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.25
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass166.05646950
Monoisotopic Mass166.05646950
Topological Polar Surface Area84.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
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
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-356302A2- (4-nitrophenyl) ethanethioamide
sc-304957A2- (2,4-Difluorophenoxy) ethanethioamide
sc-306277A2-[4- (Trifluoromethoxy) phenoxy]ethanethioamide
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OR296382-[ (4-chlorophenyl) sulphonyl]ethanethioamide

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