기본 정보
- CAS
72542-56-4- 표준 SMILES
CSC(C)=NOC(=O)N(C)SN(C(C)(C)C)P1(=S)OCC(C)(C)CO1- InChIKey
ATEBGFOYQXZUEB-UHFFFAOYSA-N- 분자식
- C14H28N3O4PS3
- 평균 분자량
- 429.6 g/mol
- 단동위원소 질량
- 429.0979569
이름 및 식별자
- 우선 이름
- AI3-29549
- IUPAC
- methyl N-[[tert-butyl-(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
이름 및 동의어
72542-56-4LINLIUWEIUNII-31O9715V9IU-5629531O9715V9IBRN 2309563AI3-29549DIMETHYL-1,3,2-DIOXAPHOSPHORINAN-2-YL)(1,1-DIMETHYLETHYL)THIO)METHYLAMINO)CARBONYL)OXY)ETHANIMIDOTHIOIC ACID METHYL ESTER, P-SULFIDE, N-(((((5,5-DIMETHYL-1,3,2-DIOXAPHOSPHORINAN-2-YL)(1,1-DIMETHYLETHYL)THIO)METHYLAMINO)CARBONYL)OXY)ETHANIMIDOTHIOIC ACID METHYL ESTER, P-SULPHIDE, N-(((((5,5-Ethanimidothioic acid, N-((((((1,1-dimethylethyl)(5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphorinan-2-yl)amino)thio)methylamino)carbonyl)oxy)-, methyl esterETHANIMIDOTHIOIC ACID, N-((((((5,5-DIMETHYL-1,3,2-DIOXAPHOSPHORINAN-2-YL)(1,1-DIMETHYLETHYL)AMINO)THIO)METHYLAMINO)CARBONYL)OXY)-, METHYL ESTER, P-SULFIDEEthanimidothioic acid, N-(((((5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)(1,1-dimethylethyl)thio)methylamino)carbonyl)oxy)-, methyl ester, P-sulfide
이름 더 보기
Ethanimidothioic acid, N-[[[[[(1,1-dimethylethyl)(5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphorinan-2-yl)amino]thio]methylamino]carbonyl]oxy]-, methyl esterEthanimodithioic acid, N-((((((5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)(1,1-dimethylethyl)amino)thio)methylamino)carbonyl)oxy)-, methyl ester, P-sulfideRefChem:199400N-((((((5,5-Dimethyl-1,3,2-dioxaphosphorinan-2-yl)(1,1-dimethylethyl)amino)thio)methylamino)carbonyl)oxy)ethanimidothioic acid methyl ester P-sulfideMETHYLN-((((((1,1-DIMETHYLETHYL)(5,5-DIMETHYL-2-THIOXO-1,.SCHEMBL11043712Q27256067
데이터베이스 식별자
- CAS
72542-56-4- PubChem CID
- 51617
- UNII
- 31O9715V9I
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 552
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