기본 정보
- CAS
170863-34-0- 표준 SMILES
C[C@@H](C(N)=S)[C@](O)(Cn1cncn1)c1ccc(F)cc1F- InChIKey
LZFBOQOMPIKJBI-ISVAXAHUSA-N- 분자식
- C13H14F2N4OS
- 평균 분자량
- 312.34 g/mol
- 단동위원소 질량
- 312.08563858
이름 및 식별자
- 우선 이름
- (2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide
- IUPAC
- (2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanethioamide
- 영어명
- (2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide
- 분자식
- C13H14F2N4OS
- 분자량
- 312.34
이름 및 동의어
170863-34-0(2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramideDTXSID50443549RefChem:206720DTXCID00394370Isavuconazole Impurity 72(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanethioamide(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)butanethioaMide(aR,bR)-b-(2,4-Difluorophenyl)-b-hydroxy-a-methyl-1H-1,2,4-triazole-1-butanethioamide(ALPHAR,BETAR)-BETA-(2,4-DIFLUOROPHENYL)-BETA-HYDROXY-ALPHA-METHYL-1H-1,2,4-TRIAZOLE-1-BUTANETHIOAMIDEyl)thiobutyramide[R-(R*,R*)]-beta-(2,4-Difluorophenyl)-beta-hydroxy-alpha-methyl-1H-1,2,4-triazole-1-butanethioamide; (2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide
이름 더 보기
Isavuconazole Impurity 80Isavuconazole Impurity 52(αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanethioaMide1H-1,2,4-Triazole-1-butanethioamide, β-(2,4-difluorophenyl)-β-hydroxy-α-methyl-, (αR,βR)-[R-(R*,R*)]-β-(2,4-Difluorophenyl)-β-hydroxy-α-Methyl-1H-1,2,4-triazole-1-butanethioaMide(αR,βR)-β-(2,4-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanethioamide, CAS 170863-34-0
1175536-51-2Isavuconazole Impurity N18P5M8PT27WBSCHEMBL1657829LZFBOQOMPIKJBI-ISVAXAHUSA-NH63503A1-03607(2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-
데이터베이스 식별자
- CAS
170863-34-0- PubChem CID
- 10686541
- DTXSID
DTXSID50443549- UNII
- P5M8PT27WB
- Nikkaji
- J3.033.122B
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 389
물리화학적 성질
- 끓는 점
- 536.4 · 536.4±60.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름에 용해됨
- 산도 계수 (pKa)
- 11.74 · 11.74±0.29(Predicted)
- 물리적 상태
- 포말 모양
- 색상
- 오프화이트
화학적 성질
Off-Wihte Foam
화학 및 산업
응용 분야
용도(2R,3R)-3-(2,4-Difluorophenyl)-3-hydroxy-2-Methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyraMide is used in the preparation of triazole antifungal agents.
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