메틸3-아미노-5-(4-플루오로페닐)티오펜-2-카르복실레이트

Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate

HCID 619692CAS 175137-08-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1sc(-c2ccc(F)cc2)cc1N
InChIKey: YIBRKYVKVWTHEM-UHFFFAOYSA-N
분자식: C12H10FNO2S
평균 분자량: 251.28 g/mol
단동위원소 질량: 251.04162778

이름 및 식별자

우선 이름: Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate
IUPAC: methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate
현지명: 메틸3-아미노-5-(4-플루오로페닐)티오펜-2-카르복실레이트
영어명: Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate
분자식: C12H10FNO2S
분자량: 251.28

이름 및 동의어

methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate175137-08-3DTXSID90347279RefChem:354836DTXCID70298351MFCD00068133CHEMBL18312162-Thiophenecarboxylic acid, 3-amino-5-(4-fluorophenyl)-, methyl esterMaybridge1_003893SCHEMBL1724239HMS552I21BDBM50353368

이름 더 보기

메틸3-아미노-5-(4-플루오로페닐)티오펜-2-카르복실레이트BUTTPARK 37\18-33TIMTEC-BB SBB005529Methyl 3-Amino-5-(4-Fluoropheyl)ThiophenMETHYL 3-AMINO-5-(4-FLUOROPHEYL)THIOPHENE-2-CARBOXYLATEmethyl 3-amino-5-(3-fluorophenyl)thiophene-2-carboxylate3-amino-5-(4-fluorophenyl)-4-methyl-2-thiophenecarboxylateMethyl3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate97%Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate 97%

EBC-03734SBB005529AKOS000352106PS-6680DB-044046CS-0206987ST45244466EN300-1267365

데이터베이스 식별자

CAS: 175137-08-3
PubChem CID: 619692
DTXSID: DTXSID90347279
ChEMBL: CHEMBL1831216
EC Number: 671-936-0

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 80.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 282

물리화학적 성질

녹는점: 153 · 153-155°C
끓는 점: 438.8 · 438.8±45.0 °C(Predicted)
밀도: 1.332 · 1.332±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 1.62 · 1.62±0.10(Predicted)

화학적 성질

white to light yellow crystal powder

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.