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1- (3-Methylphenyl) -2-thiourea

CAT: 0013-GTR19251152-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19251152-01Size:1 g
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Description
1- (3-Methylphenyl) -2-thiourea
CAS Number
621-40-9
Purity
99.33% (May vary between batches)
Smiles
CC1=CC=CC (NC (N) =S) =C1
Molecular Formula
C8H10N2S
Molecular Weight
166.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thiourea, (3-methylphenyl)-
CAS Number621-40-9
PubChem CID701727
IUPAC Name(3-methylphenyl)thiourea
Molecular FormulaC8H10N2S
Molecular Weight166.25
XLogP1.9
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity147
SMILES
CC1=CC(=CC=C1)NC(=S)N
InChI
InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey
JODPVHLKQIOIIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiourea, (3-methylphenyl)-
CAS: 621-40-9
CID: 701727
Formula: C8H10N2S
MW: 166.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.25
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass166.05646950
Monoisotopic Mass166.05646950
Topological Polar Surface Area70.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity147
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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