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RD3-0028

CAT: 0013-GTR19204965-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204965-03Size:100 mg
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Description
RD3-0028
CAS Number
3886-39-3
Field of Research
Infectious Disease & Virology
Smiles
C1=2C (CSSC1) =CC=CC2
Molecular Formula
C8H8S2
Molecular Weight
168.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,4-Dihydro-2,3-benzodithiine
CAS Number3886-39-3
PubChem CID5278214
IUPAC Name1,4-dihydro-2,3-benzodithiine
Molecular FormulaC8H8S2
Molecular Weight168.3
XLogP2
Topological Polar Surface Area50.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
C1C2=CC=CC=C2CSS1
InChI
InChI=1S/C8H8S2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-4H,5-6H2
InChIKey
KGFBVQXWAXWGDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dihydro-2,3-benzodithiine
CAS: 3886-39-3
CID: 5278214
Formula: C8H8S2
MW: 168.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight168.3
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass168.00674260
Monoisotopic Mass168.00674260
Topological Polar Surface Area50.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.8
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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