3-METHYLTHIANAPHTHENE-2-아세트산

3-Methylbenzo[b]thiophene-2-acetic acid

HCID 2779867

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1505-52-8
표준 SMILES: Cc1c(CC(=O)O)sc2ccccc12
InChIKey: MFVMWBIORCNCNB-UHFFFAOYSA-N
분자식: C11H10O2S
평균 분자량: 206.26 g/mol
단동위원소 질량: 206.04015056

이름 및 식별자

우선 이름: 3-Methylbenzo[b]thiophene-2-acetic acid
IUPAC: 2-(3-methyl-1-benzothiophen-2-yl)acetic acid
현지명: 3-METHYLTHIANAPHTHENE-2-아세트산
영어명: 3-METHYLTHIANAPHTHENE-2-ACETIC ACID
분자식: C11H10O2S
분자량: 206.26

이름 및 동의어

1505-52-83-Methylbenzo[b]thiophene-2-acetic acid3-Methylbenzo(b)thiophene-2-acetic acidRefChem:2810482-(3-methylbenzo[b]thiophen-2-yl)acetic acid2-(3-methyl-1-benzothiophen-2-yl)acetic acidBenzo[b]thiophene-2-acetic acid, 3-methyl-3-METHYLTHIANAPHTHENE-2-ACETIC ACIDMFCD00052299Maybridge1_005368(3-methyl-1-benzothiophen-2-yl)acetic acidOprea1_711047

이름 더 보기

3-METHYLTHIANAPHTHENE-2-아세트산BUTTPARK 97\57-752-(3-methyl-1-benzothiophen-2-yl)acetate2-(3-METHYLBENZOTHIOPHEN-2-YL)ACETIC ACID

SCHEMBL586189SCHEMBL30693720HMS556L22DTXSID20381580MFVMWBIORCNCNB-UHFFFAOYSA-NSBB093691AKOS0023059703-methylbenzo[b]-thiophene-2-acetic acid

데이터베이스 식별자

CAS: 1505-52-8
PubChem CID: 2779867
DTXSID: DTXSID20381580
EC Number: 681-443-2

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 229

물리화학적 성질

녹는점: 148 · 148-150°C
끓는 점: 391.8 · 391.8±27.0 °C(Predicted)
밀도: 1.315 · 1.315±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.28 · 3.28±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.