기본 정보
- CAS
76105-55-0- 표준 SMILES
COc1c(OP2(=S)OCC(C)(C)CO2)cnn(C2CCCCC2)c1=O- InChIKey
CBVRUKSFPQLWDV-UHFFFAOYSA-N- 분자식
- C16H25N2O5PS
- 평균 분자량
- 388.4 g/mol
- 단동위원소 질량
- 388.12218007
이름 및 식별자
- 우선 이름
- 2-Cyclohexyl-5-((5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphinan-2-yl)oxy)-4-methoxypyridazin-3(2H)-one
- IUPAC
- 2-cyclohexyl-5-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-4-methoxypyridazin-3-one
이름 및 동의어
76105-55-0F9CZ4V3F3JNSC3501872-Cyclohexyl-5-((5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphinan-2-yl)oxy)-4-methoxypyridazin-3(2H)-oneUNII-F9CZ4V3F3JNSC 350187MLS003171074NSC-3501872-Cyclohexyl-5-((5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy)-4-methoxypyridazin-3-one2-Cyclohexyl-5-[(5,5-dimethyl-2-sulfido-1,3,2-dioxaphosphinan-2-yl)oxy]-4-methoxypyridazin-3(2H)-one2-Cyclohexyl-5-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-4-methoxypyridazin-3-oneCHEMBL1899641
이름 더 보기
DTXSID40226984SMR0018749832-Cyclohexyl-5-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda~5~-dioxaphosphinan-2-yl)oxy]-4-methoxypyridazin-3(2H)-one2-cyclohexyl-5-[(5,5-dimethyl-2-thioxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)oxy]-4-methoxy-pyridazin-3-one
데이터베이스 식별자
- CAS
76105-55-0- PubChem CID
- 336378
- DTXSID
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 628
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