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1-(3-Bromophenyl)thiourea

CAT: 0572-TRC-B698725-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B698725-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21327-14-0
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
NC(=S)Nc1cccc(Br)c1
Molecular Formula
C7H7BrN2S
Molecular Weight
231.11
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(3-Bromophenyl)thiourea
CAS Number21327-14-0
PubChem CID2735619
IUPAC Name(3-bromophenyl)thiourea
Molecular FormulaC7H7BrN2S
Molecular Weight231.12
XLogP2.7
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
C1=CC(=CC(=C1)Br)NC(=S)N
InChI
InChI=1S/C7H7BrN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
XBRVSIPVHYWULW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Bromophenyl)thiourea
CAS: 21327-14-0
CID: 2735619
Formula: C7H7BrN2S
MW: 231.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.12
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass229.95133
Monoisotopic Mass229.95133
Topological Polar Surface Area70.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
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
WAA32714-011- (3-Bromophenyl) thiourea
OR3092-011- (3-Bromophenyl) -2-thiourea
OR4501183-Amino-1- (3-bromophenyl) thiourea
sc-279526N- (3-bromophenyl) thiourea
408042-011- (4-Bromophenyl) thiourea
407511-011- (2-Bromophenyl) thiourea
OR4501171-Amino-3- (2-bromophenyl) thiourea
FB61315-01(4-Bromophenyl) thiourea
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