4-에틸페닐2-티에닐케톤

4-Ethylphenyl 2-thienyl ketone

HCID 104321

기본 정보

CAS
52779-81-4
표준 SMILES
CCc1ccc(C(=O)c2cccs2)cc1
InChIKey
GODQIIKZEJTEPS-UHFFFAOYSA-N
분자식
C13H12OS
평균 분자량
216.3 g/mol
단동위원소 질량
216.060886

개요

Decarboxysuprofen is a thiophene substituted at C-2 by a 4-ethylbenzoyl group. It has a role as an epitope. It is a member of thiophenes and an aromatic ketone.

이름 및 식별자

우선 이름
4-Ethylphenyl 2-thienyl ketone
IUPAC
(4-ethylphenyl)-thiophen-2-ylmethanone
현지명
4-에틸페닐2-티에닐케톤
영어명
4-ethylphenyl 2-thienyl ketone
분자식
C13H12OS
분자량
216.3

이름 및 동의어

4-Ethylphenyl 2-thienyl ketonedecarboxysuprofen(4-ethylphenyl)(2-thienyl)methanonep-ethylphenyl 2-thienyl ketoneZRQ94N8GVZ2-(p-ethylbenzoyl)thiopheneCHEBI:64707EINECS 258-170-9(4-ETHYLPHENYL)-2-THIENYLMETHANONEDTXSID30200758Methanone, (4-ethylphenyl)-2-thienyl-(4-ETHYLPHENYL)-THIOPHEN-2-YL METHANONE
이름 더 보기
4-에틸페닐2-티에닐케톤Dearboxy suprofenDecarboxylated suprofen2-(4-Ethylbenzoyl)thiophene
RefChem:98911DTXCID60123249258-170-952779-81-4(4-ethylphenyl)-thiophen-2-ylmethanone(4-ethylphenyl)(thiophen-2-yl)methanoneMethanone,(4-ethylphenyl)-2-thienyl-UNII-ZRQ94N8GVZ

데이터베이스 식별자

CAS
52779-81-4
PubChem CID
104321
DTXSID
DTXSID30200758
ChEBI
CHEBI:64707
UNII
ZRQ94N8GVZ
EC Number
258-170-9
Nikkaji
J295.792B

물성

구조 계산 물성

XLogP
4.1
극성 표면적
45.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
15

물리화학적 성질

끓는 점
200 · 200-205 °C(Press: 12 Torr)
밀도
1.139 · 1.139±0.06 g/cm3(Predicted)

화학 및 산업

공급사1 곳

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

추가 설명

정의ChEBI: A thiophene substituted at C-2 by a 4-ethylbenzoyl group.

관련 반응

8건

화합물 노트

불러오는 중…