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N- (2-thienylmethyl) urea

CAT: 0013-GTR19251337-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251337-01Size:100 mg
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Description
N- (2-thienylmethyl) urea
CAS Number
219539-12-5
Field of Research
Kidney & Urological Research
Smiles
NC (=O) NCC1=CC=CS1
Molecular Formula
C6H8N2OS
Molecular Weight
156.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

((Thiophen-2-yl)methyl)urea
CAS Number219539-12-5
PubChem CID2799110
IUPAC Namethiophen-2-ylmethylurea
Molecular FormulaC6H8N2OS
Molecular Weight156.21
XLogP0.2
Topological Polar Surface Area83.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
C1=CSC(=C1)CNC(=O)N
InChI
InChI=1S/C6H8N2OS/c7-6(9)8-4-5-2-1-3-10-5/h1-3H,4H2,(H3,7,8,9)
InChIKey
DBPGMIBBYIGDII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ((Thiophen-2-yl)methyl)urea
CAS: 219539-12-5
CID: 2799110
Formula: C6H8N2OS
MW: 156.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.21
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass156.03573406
Monoisotopic Mass156.03573406
Topological Polar Surface Area83.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
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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