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Dithiazanine iodide 98%

CAT: 0286-D54290Size: 1 gDry Ice: NoHazardous: Yes
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CAS Number
514-73-8
Synonyms
3,3'-Diethylthiadicarbocyanine iodide; 3-Ethyl-2-[5- (3-ethyl-2 (3H) -benzothiazolylidene) -1,3-pentadienyl]benzothiazolium iodide; DTDCI; DiSC2 (5)
UN Code
UN2811
Pictogram
06 - Acute Toxicity; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00074829
Hazard Statement
H300 Fatal if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Toxic Solids, Organic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Dithiazanine Iodide

Dithiazanine iodide is a member of benzothiazoles and an organic iodide salt. It has a role as an anthelminthic drug and a fluorochrome. It contains a dithiazanine.

CAS Number514-73-8
PubChem CID5702697
IUPAC Name(2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole iodide
Molecular FormulaC23H23IN2S2
Molecular Weight518.5
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity537
SMILES
CCN\1C2=CC=CC=C2S/C1=C\C=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-]
InChI
InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey
MNQDKWZEUULFPX-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Dithiazanine Iodide
CAS: 514-73-8
CID: 5702697
Formula: C23H23IN2S2
MW: 518.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass518.03474
Monoisotopic Mass518.03474
Topological Polar Surface Area60.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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