기본 정보
- CAS
1206680-28-5- 표준 SMILES
CCOP(C)(=O)C(C(N)=O)c1csc2ccc(Cl)cc12- InChIKey
VGOZVZRZLDCLIO-UHFFFAOYSA-N- 분자식
- C13H15ClNO3PS
- 평균 분자량
- 331.76 g/mol
- 단동위원소 질량
- 331.01987865
이름 및 식별자
- 우선 이름
- Ethyl (2-amino-1-(5-chlorobenzo[b]thiophen-3-yl)-2-oxoethyl)(methyl)phosphinate
- IUPAC
- 2-(5-chloro-1-benzothiophen-3-yl)-2-[ethoxy(methyl)phosphoryl]acetamide
- 영어명
- ethyl 2-aMino-1-(5-chlorobenzo[b]thiophen-3-yl)-2-oxoethyl(Methyl)phosphinate
- 분자식
- C13H15ClNO3PS
- 분자량
- 331.76
이름 및 동의어
1206680-28-5Ethyl (2-amino-1-(5-chlorobenzo[b]thiophen-3-yl)-2-oxoethyl)(methyl)phosphinate2-(5-chloro-1-benzothiophen-3-yl)-2-[ethoxy(methyl)phosphoryl]acetamideethyl 2-aMino-1-(5-chlorobenzo[b]thiophen-3-yl)-2-oxoethyl(Methyl)phosphinateVGOZVZRZLDCLIO-UHFFFAOYSA-NSCHEMBL3140347DTXSID60657958Ethyl(2-amino-1-(5-chlorobenzo[b]thiophen-3-yl)-2-oxoethyl)(methyl)phosphinateF94098[Carbamoyl-(5-chloro-benzo[b]thiophen-3-yl)-methyl]-methyl-phosphinic acid ethyl esterEthyl [2-amino-1-(5-chloro-1-benzothiophen-3-yl)-2-oxoethyl](methyl)phosphinateEthyl [2-amino-1-(5-chloro-1-benzothiophen-3-yl)-2-oxoethyl]methylphosphinate
이름 더 보기
[Carbamoyl-(5-chloro-benzo[b]thiophen-3-yl)-methyl]methyl phosphinic acid ethyl esterAH279（Carbamoyl-(5-chlore-benzo[b]thiophen-3-yl)-methyl]methyl-phosphinic acid ethyl ester）Phosphinic acid, P-[2-amino-1-(5-chlorobenzo[b]thien-3-yl)-2-oxoethyl]-P-methyl-, ethyl ester
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 97.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 422
물리화학적 성질
- 끓는 점
- 512.024 · 512.024±60.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.386 · 1.386±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 14.904 · 14.904±0.50(predicted)
화학 및 산업
공급사2 곳
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
欧柏科思生物医药研究所(常州)有限公司0519-85138626 19952801683 · [email protected]
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