5-((3-ethylbenzothiazol-2(3H)-ylidene)ethylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid
기본 정보
- CAS
25962-03-2- 표준 SMILES
CCN1/C(=C\C=C2/SC(=S)N(CC(=O)O)C2=O)Sc2ccccc21- InChIKey
NVXMOCINNAPHSD-HAKHBUOSSA-N- 분자식
- C16H14N2O3S3
- 평균 분자량
- 378.5 g/mol
- 단동위원소 질량
- 378.01665583
개요
See other relationships...
이름 및 식별자
- 우선 이름
- 5-((3-ethylbenzothiazol-2(3H)-ylidene)ethylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid
- IUPAC
- 2-[(5Z)-5-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
- 영어명
- 5-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid
- 분자식
- C16H14N2O3S3
- 분자량
- 378.49
이름 및 동의어
5-((3-Ethylbenzothiazol-2(3H)-ylidene)ethylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid5-[(3-ETHYLBENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE]-4-OXO-2-THIOXOTHIAZOLIDIN-3-ACETIC ACIDRefChem:5285999Z6I733XFL25962-03-23-Thiazolidineacetic acid, 5-((3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thioxo-3-Thiazolidineacetic acid, 5-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thioxo-(5-(2-(3-Ethyl-3H-benzothiazol-2-ylidene)ethylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acidEINECS 247-373-8UNII-9Z6I733XFLSCHEMBL2410018DTXSID7067162
이름 더 보기
Merocyanine MC 25-[2-[3-Ethylbenzothiazole-2(3H)-ylidene]ethylidene]-4-oxo-2-thioxothiazolidine-3-acetic acid3-Thiazolidineacetic acid, 5-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thioxo-5-[2-[(3-Ethyl-3H-benzothiazol)-2-ylidene]ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid[5-[2-(3-Ethyl-3H-benzothiazol-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-yl]acetic acid
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 632
물리화학적 성질
- EPA
- 3 · 3-Thiazolidineacetic acid, 5-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thioxo- (25962-03-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
안전 데이터
- tsca
- TSCA listed
관련 반응
0건
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