Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

HCID 2737412
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기본 정보

CAS
33458-26-3
표준 SMILES
CCOC(=O)C1=C(C)NC(=S)NC1c1ccccc1
InChIKey
QMFBVGUFEGVPNG-UHFFFAOYSA-N
분자식
C14H16N2O2S
평균 분자량
276.36 g/mol

개요

has antidiabetic activity; structure in first source

이름 및 식별자

우선 이름
Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUPAC
ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
영어명
ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
분자식
C14H16N2O2S
분자량
276.35

이름 및 동의어

ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateRefChem:54350333458-26-3MFCD00188414ethyl 6-methyl-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylateNSC643910ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate5118-36-5DTXSID30965456ethyl 4-methyl-6-phenyl-2-sulfanyl-1,6-dihydropyrimidine-5-carboxylateEthyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateSB60204
이름 더 보기
EU-006731SBB016167NCI60_014903Oprea1_330764A0951/0044480AURORA KA-3499BUTTPARK 61\40-96
AC-31097ethyl 2-mercapto-4-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylate5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-phenyl-2-thioxo-, ethyl esterethyl 2-mercapto-6-methyl-4-phenyl-1,4-dihydro-5-pyrimidinecarboxylateethyl 6-methyl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate5-Pyrimidinecarboxylic acid,1,2,3,4-tetrahydro-6-methyl-4-phenyl-2-thioxo-, ethyl esterBCP10706Maybridge1_006365

데이터베이스 식별자

CAS
33458-26-3、5118-36-5
PubChem CID
2737412
DTXSID
DTXSID30965456
ChEMBL
CHEMBL455456
EC Number
651-255-5
Nikkaji
J869.866J

물성

구조 계산 물성

XLogP
2
극성 표면적
82.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
19

물리화학적 성질

녹는점
180 · 180
끓는 점
390.5 · 390.5±52.0 °C(Predicted)
밀도
1.25 · 1.25±0.1 g/cm3(Predicted)
산도 계수 (pKa)
11.33 · 11.33±0.70(Predicted)
InChIKey
QMFBVGUFEGVPNG-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

HS 번호
2933599590
hazard_code
Xi
위험 등급
IRRITANT

화학 및 산업

응용 분야 · 1건

용도ETHYL 6-METHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical and pharmaceutical production process middle.

상·하류 제품 정보

공급사26 곳

重庆欣博曜生物科技有限公司19122915778 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]

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