Ethyl (R)-2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate

HCID 1201654CAS 84711-26-2

기본 정보

표준 SMILES: CCOC(=O)c1c[nH]c(=S)n1[C@H](C)c1ccccc1
InChIKey: URUAOABMVSHWSB-SNVBAGLBSA-N
분자식: C14H16N2O2S
평균 분자량: 276.36 g/mol
단동위원소 질량: 276.09324875

이름 및 식별자

우선 이름: Ethyl (R)-2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate
IUPAC: ethyl 3-[(1R)-1-phenylethyl]-2-sulfanylidene-1H-imidazole-4-carboxylate
영어명: ethyl (R)-2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate
분자식: C14H16N2O2S
분자량: 276.35

이름 및 동의어

84711-26-2Ethyl (R)-2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylateEINECS 283-735-12-Mercapto Etomidateethyl 3-[(1R)-1-phenylethyl]-2-sulfanylidene-1H-imidazole-4-carboxylateEtomidate EP IMpurity Dethyl 3-(1-phenylethyl)-2-sulfanylidene-1H-imidazole-4-carboxylateEtomidate Impurity5Etomidate Impurity DEthyl 1-(1-phenylethyl)-2-sulfanyl-1H-imidazole-5-carboxylateethyl (R)-2-mercapto-1-(1-phenylethyl)-1H-imidazole-5-carboxylateSCHEMBL28718727

이름 더 보기

Etomidate-4ETOMIDATE IMPURITY IEthyl 3-(1-phenylethyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylateEthyl (R)-3-(1-phenylethyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylateEtomidate int-1 R-(+)-Ethyl 1-(α-methylbenzyl)imidazole-2-mercapto-5- carboxylate

URUAOABMVSHWSB-SNVBAGLBSA-NDTXSID701005010NS00059857Ethyl 1-[(1R)-1-phenylethyl]-2-sulfanyl-1H-imidazole-5-carboxylate(R)-ethyl 3-(1-phenylethyl)-2-thioxo-2,3-dihydro-1H-imidazole-4-carboxylateEthyl 2,3-dihydro-3-[(1R)-1-phenylethyl]-2-thioxo-1H-imidazole-4-carboxylate

데이터베이스 식별자

CAS: 84711-26-2
PubChem CID: 1201654
DTXSID: DTXSID701005010
EC Number: 283-735-1
Nikkaji: J309.092B

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 73.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 389

물리화학적 성질

끓는 점: 386.8 · 386.8±52.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
산도 계수 (pKa): 10.83 · 10.83±0.70(Predicted)

화학 및 산업

공급사35 곳

济南百隆化学有限公司[email protected] · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

연결된 노트

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