2-((5-(1-Ethyl-1H-pyrazol-3-yl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
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기본 정보
- CAS
1005592-03-9- 표준 SMILES
CCn1ccc(-c2nnc(SCC(=O)O)n2CC2CCCO2)n1- InChIKey
MNJRTOWCIXKMJN-UHFFFAOYSA-N- 분자식
- C14H19N5O3S
- 평균 분자량
- 337.4 g/mol
- 단동위원소 질량
- 337.12086066
이름 및 식별자
- 우선 이름
- 2-((5-(1-Ethyl-1H-pyrazol-3-yl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
- IUPAC
- 2-[[5-(1-ethylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
- 영어명
- ([5-(1-Ethyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]thio)acetic acid
- 분자식
- C14H19N5O3S
- 분자량
- 337.4
이름 및 동의어
1005592-03-92-((5-(1-Ethyl-1H-pyrazol-3-yl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid([5-(1-Ethyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]thio)acetic acid{[5-(1-ETHYL-1H-PYRAZOL-3-YL)-4-(TETRAHYDROFURAN-2-YLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETIC ACID2-[[5-(1-ethylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid2-{[5-(1-ethyl-1H-pyrazol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acidMFCD04970436FQB59203SBB020740STK313313AKOS000308453EN300-228582
이름 더 보기
Acetic acid, 2-[[5-(1-ethyl-1H-pyrazol-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]-
2-[5-(1-ethylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-ylthio]acetic acid{[5-(1-ethyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid2-((5-(1-Ethyl-1H-pyrazol-3-yl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)aceticacid2-[[5-(1-ethylpyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
데이터베이스 식별자
- CAS
1005592-03-9- PubChem CID
- 17024857
물성
구조 계산 물성보충 중
- XLogP
- 0.5
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 416
물리화학적 성질
- 끓는 점
- 614.6 · 614.6±58.0 °C(Predicted)
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.05 · 3.05±0.10(Predicted)
관련 반응
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