4-히드록시-6-(트리플루오로메틸)피리미딘-2-티올

6-Trifluoromethyl-2-thiouracil

HCID 1239796

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 368-54-7
표준 SMILES: O=c1cc(C(F)(F)F)[nH]c(=S)[nH]1
InChIKey: YZAOETRYQWFEOY-UHFFFAOYSA-N
분자식: C5H3F3N2OS
평균 분자량: 196.15 g/mol
단동위원소 질량: 195.99181838

개요

has anti-Toxoplasma gondii activity; structure in first source

이름 및 식별자

우선 이름: 6-Trifluoromethyl-2-thiouracil
IUPAC: 2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
현지명: 4-히드록시-6-(트리플루오로메틸)피리미딘-2-티올
영어명: 4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol
분자식: C5H3F3N2OS
분자량: 196.15

이름 및 동의어

6-Trifluoromethyl-2-thiouracilRefChem:474030368-54-74-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol2-Mercapto-6-(trifluoromethyl)pyrimidin-4-ol2-sulfanyl-6-(trifluoromethyl)pyrimidin-4-ol2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one4-Hydroxy-2-mercapto-6-(trifluoromethyl)pyrimidine2-Sulfanyl-6-(trifluoromethyl)-4-pyrimidinolMFCD001129782-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-oneNSC400847

이름 더 보기

4-히드록시-6-(트리플루오로메틸)피리미딘-2-티올BUTTPARK 6\01-78IFLAB-BB F2124-08454-HYDROXY-2-MERCAPTO-6-(TRIFLUO6-(TRIFLUOROMETHYL)-2-THIOURACIL6-(trifluoromethyl)-2-mercaptopyrimidin-4-ol2-Mercapto-6-(trifluoromethyl)-4-pyrimidinol

2-mercapto-6-(trifluoromethyl)pyrimidin-4(3H)-oneSTK087689STL102644AKOS000320362AKOS005441782NSC-400847Uracil, 2-thio-6-(trifluoromethyl)-SB57722

데이터베이스 식별자

CAS: 368-54-7
PubChem CID: 1239796
DTXSID: DTXSID80361282
EC Number: 670-504-9
Nikkaji: J2.793.746B

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 73.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 270

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

녹는점: 246 · 246-250 °C (lit.)
밀도: 1.63 · 1.63±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 6.21 · 6.21±0.20(Predicted)
색상: 흰색에서 거의 흰색
InChI: 1S/C5H3F3N2OS/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)
InChIKey: YZAOETRYQWFEOY-UHFFFAOYSA-N
SMILES: Oc1cc(nc(S)n1)C(F)(F)F
NIST: 2 · Uracil, 2-thio-6-(trifluoromethyl)-(368-54-7)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol (HTPT) can form a stable monolayer on the Au(111) surface.

상·하류 제품 정보

상류 원료

하류 제품

2-Amino-4-chloro-6-trifluoromethyl-pyrimidine 6-(트리플루오로메틸)우라실

공급사79 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

安徽合诺生物科技有限公司0555-2761852

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