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Compound Fr14347

CAT: 0013-GTR19270085-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270085-02Size:50 mg
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Description
Compound Fr14347, with CAS No. 533-74-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14347 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
533-74-4
Purity
>99.99% (May vary between batches)
Smiles
CN1CSC (=S) N (C) C1
Molecular Formula
C5H10N2S2
Molecular Weight
162.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dazomet

Dazomet is a dithiocarbamic ester that is 1,3,5-thiadiazinane with a thione moiety at position 2 and in which the hydrogens attached to the nitrogens are replaced by methyl groups. A fungicide, herbicide and nematicide, it is used prior to sowing or planting for the control of soil fungi, nematodes, bacteria and germinating weeds, and as fumigant for poultry litter and eggs to control Salmonella. It is a non-ozone-depleting alternative to methyl bromide. It has a role as a herbicide, a nematicide, an antibacterial agent and an antifungal agrochemical. It is a dithiocarbamic ester and a thiadiazinane.

CAS Number533-74-4
PubChem CID10788
IUPAC Name3,5-dimethyl-1,3,5-thiadiazinane-2-thione
Molecular FormulaC5H10N2S2
Molecular Weight162.3
XLogP1.3
Topological Polar Surface Area63.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity126
SMILES
CN1CN(C(=S)SC1)C
InChI
InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3
InChIKey
QAYICIQNSGETAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dazomet
CAS: 533-74-4
CID: 10788
Formula: C5H10N2S2
MW: 162.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.3
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass162.02854067
Monoisotopic Mass162.02854067
Topological Polar Surface Area63.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity126
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
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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