기본 정보
- CAS
78587-59-4- 표준 SMILES
C[C@@H]1NC(=O)S[C@H]1c1ccc(Cl)cc1- InChIKey
IPCDQNZFHKSICG-IMTBSYHQSA-N- 분자식
- C10H10ClNOS
- 평균 분자량
- 227.71 g/mol
- 단동위원소 질량
- 227.0171628
이름 및 식별자
- 우선 이름
- rel-(4R,5R)-5-(4-Chlorophenyl)-4-methyl-2-thiazolidinone
- IUPAC
- (4S,5S)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one
- 현지명
- TRANS-5-(4-클로로페닐)-4-메틸-2-티아졸리돈
- 영어명
- trans-5-(4-Chlorophenyl)-4-methyl-2-thiazolidone
- 분자식
- C10H10ClNOS
- 분자량
- 227.71
이름 및 동의어
78587-59-4trans-5-(4-Chlorophenyl)-4-methylthiazolidin-2-oneHexythiazox metabolite PT-1-32-Thiazolidinone, 5-(4-chlorophenyl)-4-methyl-, trans-; rel-(4R,5R)-5-(4-Chlorophenyl)-4-methyl-2-thiazolidinone; trans-5-(4-Chlorophenyl)-4-methyl-2-thiazolidinone; Hexythiazox metabolite PT-1-3rel-(4R,5R)-5-(4-Chlorophenyl)-4-methyl-2-thiazolidinoneSCHEMBL6615263DTXSID50517931Hexythiazox metabolite 1 PT-1-9(4S,5S)-5-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLIDIN-2-ONETRANS-5-(4-클로로페닐)-4-메틸-2-티아졸리돈Thiazolidone(4R,5R)-5-(4-chlorophenyl)-4-methyl-1,3-thiazolidin-2-one
이름 더 보기
Hexythiazox metabolite 1 PT-1-3trans-5-(4-Chlorophenyl)-4-methyl-2-thiazolidonetrans-5-(4-Chlorophenyl)-4-methyl-2-thiazolidinone(4R,5r)-5-(4-Chlorophenyl)-4-methylthiazolidin-2-oneHexythiazox metabolite 1 PT-1-3 100 μg/ml Acetonitrile
데이터베이스 식별자
- CAS
78587-59-4- PubChem CID
- 69840758
- DTXSID
DTXSID50517931- Nikkaji
- J220.786I
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 54.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 228
물리화학적 성질
- 녹는점
- 143 · 143 - 145°C
- 밀도
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 12.23 · 12.23±0.60(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학 및 산업
응용 분야
용도rel-(4R,5R)-5-(4-Chlorophenyl)-4-methyl-2-thiazolidinone is a useful building block and has been used in the synthesis of hexythiazox (H298500).
공급사46 곳
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
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