Ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate

HCID 254889CAS 148550-51-0

기본 정보

표준 SMILES: CCOC(=O)c1cnc(S(C)(=O)=O)nc1
InChIKey: SHVJIPVRIOSGCA-UHFFFAOYSA-N
분자식: C8H10N2O4S
평균 분자량: 230.24 g/mol
단동위원소 질량: 230.0361278

이름 및 식별자

우선 이름: Ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate
IUPAC: ethyl 2-methylsulfonylpyrimidine-5-carboxylate
영어명: Ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate
분자식: C8H10N2O4S
분자량: 230.24

이름 및 동의어

ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate148550-51-0ethyl 2-methylsulfonylpyrimidine-5-carboxylateMFCD073667515-Pyrimidinecarboxylic acid, 2-(methylsulfonyl)-, ethyl esterNSC796152-(methylsulfonyl)-5-pyrimidinecarboxylic acid ethyl esterEthyl2-(methylsulfonyl)pyrimidine-5-carboxylateNCIOpen2_004458Ethyl 2-(Methylsulfonyl)-5-pyrimidinecarboxylateSCHEMBL650818DTXSID80292007

이름 더 보기

ETHYL 2-(METHYLSULPHONYL)PYRIMIDINE-5-CARBOXYLATEEthyl 2-(methylsulfonyl)pyrimidine-5-carboxylate 95%ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE ISO 9001：2015 REACH

SHVJIPVRIOSGCA-UHFFFAOYSA-NNSC-79615AKOS016005037DS-4021SY248187DB-063765CS-0041837Ethyl 2-(methanesulfonyl)pyrimidine-5-carboxylate

데이터베이스 식별자

CAS: 148550-51-0
PubChem CID: 254889
DTXSID: DTXSID80292007

물성

구조 계산 물성

XLogP: 0
극성 표면적: 94.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 314

물리화학적 성질

끓는 점: 407.7 · 407.7±37.0 °C(Predicted)
밀도: 1.338 · 1.338±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): -4.99 · -4.99±0.22(Predicted)

안전 및 규제

안전 데이터

HS 번호: 2933399990

화학 및 산업

상·하류 제품 정보

상류 원료

공급사40 곳

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