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Malachite Green Isothiocyanate

CAT: 1299-RM-M125915-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M125915-01Size:10 mg
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CAS Number
147492-82-8
Synonyms
MGITC; N- (4- ((4- (dimethylamino) phenyl) (4-isothiocyanatophenyl) methylene) cyclohexa-2,5-dien-1-ylidene) -N-methylmethanaminium perchlorate
Molecular Formula
C24H24ClN3O4S
Molecular Weight
485.98
Product Name Synonym
MGITC; N- (4- ((4- (dimethylamino) phenyl) (4-isothiocyanatophenyl) methylene) cyclohexa-2,5-dien-1-ylidene) -N-methylmethanaminium perchlorate

Chemical Information

Malachite green isothiocyanate

Malachite green isothiocyanate is an organic perchlorate salt. It has a role as a fluorochrome. It contains a malachite green isothiocyanate cation.

CAS Number147492-82-8
PubChem CID25195446
IUPAC Name[4-[[4-(dimethylamino)phenyl]-(4-isothiocyanatophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium perchlorate
Molecular FormulaC24H24ClN3O4S
Molecular Weight486.0
Topological Polar Surface Area125
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity756
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N=C=S.[O-]Cl(=O)(=O)=O
InChI
InChI=1S/C24H24N3S.ClHO4/c1-26(2)22-13-7-19(8-14-22)24(18-5-11-21(12-6-18)25-17-28)20-9-15-23(16-10-20)27(3)4;2-1(3,4)5/h5-16H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey
DDKWQLRWSLILIV-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Malachite green isothiocyanate
CAS: 147492-82-8
CID: 25195446
Formula: C24H24ClN3O4S
MW: 486.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass485.1176051
Monoisotopic Mass485.1176051
Topological Polar Surface Area125 Ų
Heavy Atom Count33
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-131097-01Malachite green isothiocyanate
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