기본 정보
- CAS
14637-08-2- 표준 SMILES
CCC(=Cc1sc2ccc(OC)cc2[n+]1CCCS(=O)(=O)[O-])C=C1Sc2ccc(OC)cc2N1CC- InChIKey
BPVXRCNZOAFWOB-UHFFFAOYSA-N- 분자식
- C26H30N2O5S3
- 평균 분자량
- 546.7 g/mol
- 단동위원소 질량
- 546.13168558
이름 및 식별자
- 우선 이름
- benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3h)-benzothiazolylidene)methyl)-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner salt
- IUPAC
- 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
- 영어명
- 2-[2-[(3-ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl]but-1-enyl]-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium
- 분자식
- C26H30N2O5S3
- 분자량
- 546.72
이름 및 동의어
14637-08-2EINECS 238-681-3Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, inner saltAnhydro-2-(3-(3-ethyl-5-methoxy-2-benzothiazolinylidene)-2-ethylpropenyl)-3-(3-sulfopropyl)-5-methoxybenzothiazolium hydroxideBenzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner saltBenzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5-methoxy-3-(3-sulfopropyl)-, inner saltBenzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, hydroxide, inner saltBenzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methoxy-3-(3-sulfopropyl)-, inner saltDTXSID0065800RefChem:118577DTXCID60347662-(2-((3-Ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl)but-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium
이름 더 보기
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 892
물리화학적 성질
- EPA
- 2 · Benzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5-methoxy-3-(3-sulfopropyl)-, inner salt (14637-08-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methoxy-3-(3-sulfopropyl)-, inner salt: INACTIVE
공급사2 곳
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