Basic information
- CAS
53213-85-7- Standard SMILES
CCCCN1/C(=C/C=C/c2sc3ccccc3[n+]2CCCC)Sc2ccccc21.[I-]- InChIKey
IBLJGRBTLKWIGM-UHFFFAOYSA-M- Molecular formula
- C25H29IN2S2
- Average molar mass
- 548.5 g/mol
- Monoisotopic mass
- 548.08169
Overview
See other relationships...
Names & identifiers
- Preferred name
- 3,3-Dibutylthiacarbocyanine iodide
- IUPAC
- (2Z)-3-butyl-2-[(E)-3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole iodide
- English name
- 3 3'-Dibutylthiacarbocyanine iodide
- Molecular formula
- C25H29IN2S2
- Molecular weight
- 548.54563
Names & synonyms
53213-85-73,3-Dibutylthiacarbocyanine iodide3,3-Dibutylthiacarbocyanine (iodide)CHEMBL3409551HY-D1483CS-0530847T85424-DibutylthiacarbocyanineIodide3,3`-DIBUTYLTHIACARBOCYANINE IODIDE,FOR FLUORESCENCE3-butyl-2-[3-(3-butyl-(3H)-benzothiazol-2-ylidene)propen-1-yl]benzothiazolium iodideBenzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1) SD2
Database identifiers
- CAS
53213-85-7- PubChem CID
- 11947713
- ChEMBL
CHEMBL3409551- EC Number
- 258-430-1
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- solubility
- DMSO: soluble
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25-36
- WGK Germany
- 3 · 3
- F
- 8 · 8-10
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8-10
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-36
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses3,3''-Dibutylthiacarbocyanine iodide is a cyanine useful in fluorescent applications.
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
思乐拓普（南京）科技有限责任公司15156792748 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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