Thiophene-3-ethanol

HCID 83731CAS 13781-67-4

기본 정보

표준 SMILES: OCCc1ccsc1
InChIKey: YYPNNBPPDFTQFX-UHFFFAOYSA-N
분자식: C6H8OS
평균 분자량: 128.19 g/mol
단동위원소 질량: 128.02958605

이름 및 식별자

우선 이름: Thiophene-3-ethanol
IUPAC: 2-thiophen-3-ylethanol
영어명: Thiophene-3-ethanol
분자식: C6H8OS
분자량: 128.19

이름 및 동의어

3-Thiopheneethanol13781-67-42-(3-Thienyl)ethanolThiophene-3-ethanolEINECS 237-434-7DTXSID40160319RefChem:897903DTXCID0082810237-434-7InChI=1/C6H8OS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2-(Thiophen-3-yl)ethanol3-(2-Hydroxyethyl)thiophene

이름 더 보기

2-(3-ThienyLThiophen-3-ylethanol3-Thiopheneethanol 99%Clopidogrel Impurity 513-THIOPHENEETHANOL 98+%

2-(thiophen-3-yl)ethan-1-ol2-thiophen-3-ylethanolMFCD000097662-(3-Thienyl)-1-ethanol3-thiophene-ethanol2-(3-thienyl) ethanol2-(3-thienyl)-ethanol3-Thiopheneethanol, 99%

데이터베이스 식별자

CAS: 13781-67-4
PubChem CID: 83731
DTXSID: DTXSID40160319
UNII: QT9D7W9SX6
EC Number: 237-434-7
Nikkaji: J266.769J

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 48.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 65

물리화학적 성질

끓는 점: 110 · 110-111 °C14 mm Hg(lit.)
밀도: 1.144 g/mL · 1.144 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.552(lit.)
인화점: 199 °F · 199 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 14.92 · 14.92±0.10(Predicted)
물리적 상태: 액체
색상: 투명한 무색~황갈색
Specific Gravity: 1.144 · 1.144
수용성: 물에 거의 녹지 않습니다(25°C에서 0.059 g/L).
BRN: 107080 · 107080
InChI: 1S/C6H8OS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2
InChIKey: YYPNNBPPDFTQFX-UHFFFAOYSA-N
SMILES: OCCc1ccsc1
LogP: 1.07 · 1.07
NIST: 3 · 3-Thiopheneethanol(13781-67-4)

화학적 성질

Clear colorless to yellowish-brown liquid

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 29349990
safety_code: 23-24/25
F 고인화성물질: 10
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도3-Thiopheneethanol is used as a reagent in the synthesis of pH-responsive near-IR emitting conjugated polymer nanoparticles for cellular imaging and controlled-drug delivery. 3-Thiopheneethanol is also used as a reagent in the preparation of potent respiratory syncytial virus RNA polymerase inhibitors.