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N- (2-methylphenyl) morpholine-4-carbothioamide

CAT: 0013-GTR19251792-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251792-01Size:100 mg
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Description
N- (2-methylphenyl) morpholine-4-carbothioamide
CAS Number
108747-42-8
Smiles
Cc1ccccc1NC (=S) N1CCOCC1
Molecular Formula
C12H16N2OS
Molecular Weight
236.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-methylphenyl)morpholine-4-carbothioamide
CAS Number108747-42-8
PubChem CID700015
IUPAC NameN-(2-methylphenyl)morpholine-4-carbothioamide
Molecular FormulaC12H16N2OS
Molecular Weight236.34
XLogP1.1
Topological Polar Surface Area56.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity241
SMILES
CC1=CC=CC=C1NC(=S)N2CCOCC2
InChI
InChI=1S/C12H16N2OS/c1-10-4-2-3-5-11(10)13-12(16)14-6-8-15-9-7-14/h2-5H,6-9H2,1H3,(H,13,16)
InChIKey
GYUXEKCEGBXHAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-methylphenyl)morpholine-4-carbothioamide
CAS: 108747-42-8
CID: 700015
Formula: C12H16N2OS
MW: 236.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.34
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass236.09833431
Monoisotopic Mass236.09833431
Topological Polar Surface Area56.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity241
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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CatalogName
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