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N- (3-nitrophenyl) thiourea

CAT: 0024-sc-281020Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-281020Size:1 g
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CAS Number
709-72-8

Chemical Information

(3-Nitrophenyl)thiourea
CAS Number709-72-8
PubChem CID2754758
IUPAC Name(3-nitrophenyl)thiourea
Molecular FormulaC7H7N3O2S
Molecular Weight197.22
XLogP1.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity216
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)N
InChI
InChI=1S/C7H7N3O2S/c8-7(13)9-5-2-1-3-6(4-5)10(11)12/h1-4H,(H3,8,9,13)
InChIKey
HQEMUQNZGCZHHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Nitrophenyl)thiourea
CAS: 709-72-8
CID: 2754758
Formula: C7H7N3O2S
MW: 197.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.22
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass197.02589765
Monoisotopic Mass197.02589765
Topological Polar Surface Area116 Ų
Heavy Atom Count13
Formal Charge0
Complexity216
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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