3-Thiazolidineacetic acid, 5-[3-(carboxymethyl)-5-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]-4-oxo-2-thioxo-
기본 정보
- CAS
33006-80-3- 표준 SMILES
CCN1/C(=C\C=c2\s/c(=C3/SC(=S)N(CC(=O)O)C3=O)n(CC(=O)O)c2=O)Sc2ccccc21- InChIKey
OIVXXGLSVHGVOJ-BOHMQVRCSA-N- 분자식
- C21H17N3O6S4
- 평균 분자량
- 535.6 g/mol
- 단동위원소 질량
- 535.00001996
이름 및 식별자
- 우선 이름
- 3-Thiazolidineacetic acid, 5-[3-(carboxymethyl)-5-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]-4-oxo-2-thioxo-
- IUPAC
- 2-[(2E,5E)-2-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid
이름 및 동의어
EINECS 251-333-53-Thiazolidineacetic acid, 5-(3-(carboxymethyl)-5-(2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thiazolidinylidene)-4-oxo-2-thioxo-3-Thiazolidineacetic acid, 5-(3-(carboxymethyl)-5-((3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thiazolidinylidene)-4-oxo-2-thioxo-3-Thiazolidineacetic acid, 5-[3-(carboxymethyl)-5-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]-4-oxo-2-thioxo-RefChem:5054335-(3-(Carboxymethyl)-5-((3-ethylbenzothiazol-2(3H)-ylidene)ethylidene)-4-oxothiazolidin-2-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid
데이터베이스 식별자
- CAS
33006-80-3- PubChem CID
- 6438080
- Nikkaji
- J319.485J
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 226 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 1,060
화학 및 산업
용도 및 제조
General Manufacturing Information3-Thiazolidineacetic acid, 5-[3-(carboxymethyl)-5-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]-4-oxo-2-thioxo-: INACTIVE
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