기본 정보
- CAS
3196-56-3- 표준 SMILES
CC12COP(=S)(OC1)OC2- InChIKey
OKSHJMXSMVSYAW-UHFFFAOYSA-N- 분자식
- C5H9O3PS
- 평균 분자량
- 180.16 g/mol
- 단동위원소 질량
- 180.00100232
이름 및 식별자
- 우선 이름
- 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-methyl-, 1-sulfide
- IUPAC
- 4-methyl-1-sulfanylidene-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane
- 영어명
- 4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-thione
- 분자식
- C5H9O3PS
- 분자량
- 180.16
이름 및 동의어
3196-56-3Phosphorothioic acid, cyclic O,O,O-ester with 2-(hydroxymethyl)-2-methyl-1,3-propanediol2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-methyl-, 1-sulfideDTXSID50185790RefChem:1060201DTXCID901082814-Methyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide1,3-Propanediol, 2-(hydroxymethyl)-2-methyl, cyclic phosphorothioate (1:1)2-(Hydroxymethyl)-2-methyl-1,3-propanediol, cyclic phosphorothioate (1:1)4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-sulphideBRN 19097714-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-sulfide
이름 더 보기
4-Methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-thione2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-methyl-, 1-sulfide
SCHEMBL14771270OKSHJMXSMVSYAW-UHFFFAOYSA-N1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, cyclic O,O,O-ester with phosphorothioic acid4-Methyl-2,6,7-trioxa-1-phospha-bicyclo[2.2.2]octane 1-sulfide4-Methyl-2,6,7-trioxa-1lambda~5~-phosphabicyclo[2.2.2]octane-1-thione
데이터베이스 식별자
- CAS
3196-56-3- PubChem CID
- 18534
- DTXSID
DTXSID50185790- Nikkaji
- J50.456D
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 59.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 174
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
물리화학적 성질
- 녹는점
- 225 · 225-226 °C
- 끓는 점
- 183.7 · 183.7±23.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
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