기본 정보
- CAS
68084-36-6- 표준 SMILES
CC1=CSC(=CC=Cc2scc(C)[n+]2Cc2ccccc2)N1Cc1ccccc1.[Br-]- InChIKey
JMESOXPAEAEYQI-UHFFFAOYSA-M- 분자식
- C25H25BrN2S2
- 평균 분자량
- 497.5 g/mol
- 단동위원소 질량
- 496.06425
이름 및 식별자
- 우선 이름
- Thiazolium, 4-methyl-2-(3-(4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene)-1-propen-1-yl)-3-(phenylmethyl)-, bromide (1:1)
- IUPAC
- 3-benzyl-2-[3-(3-benzyl-4-methyl-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-4-methyl-1,3-thiazole bromide
이름 및 동의어
DTXSID1088714768084-36-6Thiazolium, 4-methyl-2-(3-(4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene)-1-propen-1-yl)-3-(phenylmethyl)-, bromide (1:1)Thiazolium, 4-methyl-2-(3-(4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene)-1-propenyl)-3-(phenylmethyl)-, bromideThiazolium, 4-methyl-2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propen-1-yl]-3-(phenylmethyl)-, bromide (1:1)Thiazolium, 4-methyl-2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propenyl]-3-(phenylmethyl)-, bromideEINECS 268-438-7RefChem:189313DTXCID7010264603,3'-Dibenzyl-4,4'-dimethyl-2,2'-thiazolocarbocyanine bromideJMESOXPAEAEYQI-UHFFFAOYSA-M3-Benzyl-2-[3-(3-benzyl-4-methyl-1,3-thiazol-2(3H)-ylidene)prop-1-en-1-yl]-4-methyl-1,3-thiazol-3-ium bromide
데이터베이스 식별자
- CAS
68084-36-6- PubChem CID
- 71439712
- DTXSID
DTXSID10887147- EC Number
- 268-438-7
물성
구조 계산 물성
- 극성 표면적
- 60.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 564
화학 및 산업
용도 및 제조
General Manufacturing InformationThiazolium, 4-methyl-2-[3-[4-methyl-3-(phenylmethyl)-2(3H)-thiazolylidene]-1-propen-1-yl]-3-(phenylmethyl)-, bromide (1:1): INACTIVE
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