5,6-디메틸-2-티오우라실

5,6-Dimethyl-2-thiouracil

HCID 2736249CAS 28456-54-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1[nH]c(=S)[nH]c(=O)c1C
InChIKey: MEAKRQUSGACTFV-UHFFFAOYSA-N
분자식: C6H8N2OS
평균 분자량: 156.21 g/mol
단동위원소 질량: 156.03573388

이름 및 식별자

우선 이름: 5,6-Dimethyl-2-thiouracil
IUPAC: 5,6-dimethyl-2-sulfanylidene-1H-pyrimidin-4-one
현지명: 5,6-디메틸-2-티오우라실
영어명: 5,6-Dimethyl-2-thiouracil
분자식: C6H8N2OS
분자량: 156.21

이름 및 동의어

5,6-Dimethyl-2-thiouracil28456-54-4RefChem:528107625-291-75,6-Dimethylthiouracil5,6-dimethyl-2-sulfanylpyrimidin-4-ol5,6-dimethyl-2-sulfanylidene-1H-pyrimidin-4-one2-mercapto-5,6-dimethylpyrimidin-4(3H)-one2-mercapto-5,6-dimethylpyrimidin-4-olMFCD002694354(1H)-Pyrimidinone, 2,3-dihydro-5,6-dimethyl-2-thioxo-4-pyrimidinol, 2-mercapto-5,6-dimethyl-

이름 더 보기

5,6-디메틸-2-티오우라실DMTU5,6-dimethyl-2-thio-uraci5,6-dimethyl-2-sulfururacil5,6-dimethyl-2-Thiouracil (Standard)

F2135-0898Uracil, 5,6-dimethyl-2-thio-NSC 60687BRN 0118811NSC606875,6-Dimethyl-4-hydroxy-2-mercaptopyrimidine5-24-07-00238 (Beilstein Handbook Reference)orb1692970

데이터베이스 식별자

CAS: 28456-54-4
PubChem CID: 2736249
DTXSID: DTXSID00182653
EC Number: 625-291-7
Nikkaji: J96.658D

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 73.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 232

물리화학적 성질

녹는점: 284 · 284-288 °C(lit.)
밀도: 1.2069 · 1.2069 (rough estimate)
굴절률: 1.649 · 1.6490 (estimate)
저장 조건: -20 °C · -20°C Freezer
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
물리적 상태: solid
산도 계수 (pKa): 7.88 · 7.88±0.25(Predicted)
색상: 흰색에서 연한 노란색
수용성: 1.373 g/L · 1.373g/L(25℃)
InChI: 1S/C6H8N2OS/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)
InChIKey: MEAKRQUSGACTFV-UHFFFAOYSA-N
SMILES: CC1=C(C)C(=O)NC(=S)N1

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 40 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
rtecs: YQ9887000
HS 번호: 2933599590
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요5,6-dimethyl-2-Thiouracil is a heterocyclic building block that has been used in the synthesis of anti-HIV-1 pyrimidinones. It has also been used as an internal standard for the quantification of thyreostats, including 2-thiouracil, in bovine plasma.

용도5,6-Dimethylthiouracil is a heterocyclic building block.

상·하류 제품 정보

하류 제품

5,6-디메틸루라실

공급사49 곳

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