기본 정보
- CAS
1023515-75-4- 표준 SMILES
CCOC(=O)c1c(NC=C2C(=O)OC(C)(C)OC2=O)sc2c1CCCC2- InChIKey
SSOMNEBNGZAFGB-UHFFFAOYSA-N- 분자식
- C18H21NO6S
- 평균 분자량
- 379.4 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-(((4,4-dimethyl-2,6-dioxo-3,5-dioxanylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- Ethyl 2-(((4,4-dimethyl-2,6-dioxo-3,5-dioxanylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
- 분자식
- C18H21NO6S
- 분자량
- 379.43
이름 및 동의어
1023515-75-4ethyl 2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-(((2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateETHYL 2-(((4,4-DIMETHYL-2,6-DIOXO-3,5-DIOXANYLIDENE)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATEethyl 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateMFCD00245764AKOS005109203MS-7264CS-0339788F3389-0146ethyl 2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylateethyl2-{[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
이름 더 보기
Benzo[b]thiophene-3-carboxylic acid, 2-[[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 609
물리화학적 성질
- 끓는 점
- 614.9 · 614.9±55.0 °C(Predicted)
- 밀도
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.99 · -3.99±0.20(Predicted)
화학 및 산업
공급사3 곳
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