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(5-Chloro-2-fluorophenyl) methanethiol

CAT: 0127-PC1003048Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1003048Size:250 mg
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CAS Number
1510172-41-4
MDL Number
MFCD26599620
Purity
95%
Smiles
SCC1=CC(Cl)=CC=C1F

Chemical Information

(5-Chloro-2-fluorophenyl)methanethiol
CAS Number1510172-41-4
PubChem CID83529732
IUPAC Name(5-chloro-2-fluorophenyl)methanethiol
Molecular FormulaC7H6ClFS
Molecular Weight176.64
XLogP2.7
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
C1=CC(=C(C=C1Cl)CS)F
InChI
InChI=1S/C7H6ClFS/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKey
KNAQPVDICAQCHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5-Chloro-2-fluorophenyl)methanethiol
CAS: 1510172-41-4
CID: 83529732
Formula: C7H6ClFS
MW: 176.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.64
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass175.9862772
Monoisotopic Mass175.9862772
Topological Polar Surface Area1 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
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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