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3,5-Dichlorothiobenzamide

CAT: 0024-sc-283908Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-283908Size:1 g
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CAS Number
22179-74-4

Chemical Information

3,5-Dichlorothiobenzamide
CAS Number22179-74-4
PubChem CID2060896
IUPAC Name3,5-dichlorobenzenecarbothioamide
Molecular FormulaC7H5Cl2NS
Molecular Weight206.09
XLogP2.7
Topological Polar Surface Area58.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity153
SMILES
C1=C(C=C(C=C1Cl)Cl)C(=S)N
InChI
InChI=1S/C7H5Cl2NS/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)
InChIKey
DQYCYBQFAAOJAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichlorothiobenzamide
CAS: 22179-74-4
CID: 2060896
Formula: C7H5Cl2NS
MW: 206.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight206.09
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass204.9519757
Monoisotopic Mass204.9519757
Topological Polar Surface Area58.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity153
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