기본 정보
- CAS
7187-55-5- 표준 SMILES
CCN1/C(=C/C=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21- InChIKey
FYXWDSGGZAMYFZ-UHFFFAOYSA-N- 분자식
- C23H23N2S2+
- 평균 분자량
- 391.6 g/mol
- 단동위원소 질량
- 391.13026609
개요
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.
이름 및 식별자
- 우선 이름
- 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
이름 및 동의어
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
이름 더 보기
DTXCID1028239Benzothiazolium, 3-ethyl-2-(5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl)-5L7E7IY5EHCHEBI:52806NCGC00181104-01NCGC00181104-02SCHEMBL10035960BDBM47714
데이터베이스 식별자
- CAS
7187-55-5- PubChem CID
- 5473758
- ChEMBL
CHEMBL1185568- ChEBI
CHEBI:52787- Nikkaji
- J2.199.744G、J273.930E、J766.933J、J9.647D
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 1
- 복잡도
- 537
화학 및 산업
약리 정보
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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