2-(Thiophen-3-yl)propanoic acid

HCID 13134867

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 78239-46-0
표준 SMILES: CC(C(=O)O)c1ccsc1
InChIKey: MDHJHWOTXDVWRS-UHFFFAOYSA-N
분자식: C7H8O2S
평균 분자량: 156.2 g/mol
단동위원소 질량: 156.02450067

이름 및 식별자

우선 이름: 2-(Thiophen-3-yl)propanoic acid
IUPAC: 2-thiophen-3-ylpropanoic acid

이름 및 동의어

2-(thiophen-3-yl)propanoic acid78239-46-0RefChem:462420838-993-52-thiophen-3-ylpropanoic acid2-(3-Thienyl)propanoic acid3-thienyl propanoic acid2-(3-thienyl)propionic acidSCHEMBL5998752-(3-thienyl) propionic acid2-(thiophen-3-yl)propanoicacid2-(4-thiophenyl)-propionic acid

이름 더 보기

MDHJHWOTXDVWRS-UHFFFAOYSA-NDDA23946MFCD16671460AKOS011369017AT17090SY189455EN300-82130Z954552432

데이터베이스 식별자

CAS: 78239-46-0
PubChem CID: 13134867
EC Number: 838-993-5

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.