Dithiazanine
基本情報
- CAS
7187-55-5- 標準SMILES
CCN1/C(=C/C=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21- InChIKey
FYXWDSGGZAMYFZ-UHFFFAOYSA-N- 分子式
- C23H23N2S2+
- 平均分子量
- 391.6 g/mol
- 単同位体質量
- 391.13026609
概要
Dithiazanine is a cationic C3-cyanine dye with 3-ethylbenzothiazol-2-yl groups at both ends. It has a role as an anthelminthic drug and a fluorochrome. It is a member of benzothiazoles and a benzothiazolium ion.
名称と識別子
- 優先名称
- Dithiazanine
- IUPAC
- (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole
名称と別名
DithiazaninumDITHIAZANINE3,3'-DiethylthiadicarbocyanineCHEBI:527877187-55-5Dithiazanine ionDithiazanine cation3-ethyl-2-[5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-1,3-benzothiazol-3-iumDTXSID00482643-ethyl-2-(5-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl)-1,3-benzothiazol-3-iumRefChem:1351823,3' Diethylthiadicarbocyanine
名称をさらに表示
DTXCID1028239Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-5L7E7IY5EHCHEBI:52806NCGC00181104-01NCGC00181104-02SCHEMBL10035960BDBM47714
データベース識別子
- CAS
7187-55-5- PubChem CID
- 5473758
- ChEMBL
CHEMBL1185568- ChEBI
CHEBI:52787- Nikkaji
- J2.199.744G、J273.930E、J766.933J、J9.647D
物性
構造計算による物性
- XLogP
- 7
- 極性表面積
- 60.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 27
- 形式電荷
- 1
- 複雑度
- 537
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice.
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
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