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Methylene bis thiocyanate

CAT: 0926-FM07826-01Size: 2 gDry Ice: NoHazardous: No
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CAS Number
6317-18-6
MDL Number
MFCD00001833
Smiles
C (SC#N) SC#N
Molecular Formula
C3H2N2S2
Molecular Weight
130.19 g/mol
Controlled
No

Chemical Information

Methylene bis(thiocyanate)

Methylene bis(thiocyanate) is a member of the class of thiocyanates that is methane in which two of the hycrogens have been replaced by thiocyanato groups. Used as a biocide for the control of various pathogens and algae in industrial water systems and as a fungicide for the control of surface moulds and sapstain fungi on wood. It has a role as a fungicide and an antibacterial agent.

CAS Number6317-18-6
PubChem CID22772
IUPAC Namethiocyanatomethyl thiocyanate
Molecular FormulaC3H2N2S2
Molecular Weight130.20
XLogP1.7
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity108
SMILES
C(SC#N)SC#N
InChI
InChI=1S/C3H2N2S2/c4-1-6-3-7-2-5/h3H2
InChIKey
JWZXKXIUSSIAMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylene bis(thiocyanate)
CAS: 6317-18-6
CID: 22772
Formula: C3H2N2S2
MW: 130.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.20
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass129.96594042
Monoisotopic Mass129.96594042
Topological Polar Surface Area98.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity108
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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FS30601Sodium thiocyanate
FP30593-01Potassium thiocyanate
FM02327-01Mercury thiocyanate

Alternative Products

CatalogName
281667-01Methylene Bis Thiocyanate
SB0897Sodium thiocyanate
GB0244Guanidine thiocyanate
TYD-01372-01Tetrabutylammonium thiocyanate
300978Sinapine thiocyanate
TRC-P698520-100GPotassium Thiocyanate
TRC-E650055-100GErythromycin Thiocyanate
GK3645-1kgAmmonium thiocyanate
sc-269957Nickel thiocyanate
MBS5811329Obidoxime thiocyanate

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