(티오펜-2-카르보닐)-아미노]-아세트산

((2-Thienylcarbonyl)amino)acetic acid

HCID 679227CAS 33955-17-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)CNC(=O)c1cccs1
InChIKey: NXTJGIBOVGESBV-UHFFFAOYSA-N
분자식: C7H7NO3S
평균 분자량: 185.2 g/mol
단동위원소 질량: 185.01466408

이름 및 식별자

우선 이름: ((2-Thienylcarbonyl)amino)acetic acid
IUPAC: 2-(thiophene-2-carbonylamino)acetic acid
현지명: (티오펜-2-카르보닐)-아미노]-아세트산
영어명: (Thiophene-2-carbonyl)-amino]-acetic acid
분자식: C7H7NO3S
분자량: 185.2

이름 및 동의어

((2-THIENYLCARBONYL)AMINO)ACETIC ACIDRefChem:389763630-955-433955-17-8[(Thiophene-2-carbonyl)-amino]-acetic acid2-(thiophene-2-carboxamido)acetic acid2-(thiophene-2-carbonylamino)acetic acidMFCD007615972-(thiophen-2-ylformamido)acetic acid2-[(thiophen-2-yl)formamido]acetic acid[(thien-2-ylcarbonyl)amino]acetic acidN-(THIOPHENE-2-CARBONYL)GLYCINE

이름 더 보기

(티오펜-2-카르보닐)-아미노]-아세트산(thiophene-2-carbonyl)glycineN-[(Thien-2-yl)carbonyl]glycineGlycine, N-(2-thienylcarbonyl)-

N-(thiophen-2-ylcarbonyl)glycine2-(2-thienylcarbonylamino)acetic acidN-(2-Thienylcarbonyl)glycine2-thenoylglycine2-(Thiophene-2-carboxamido)aceticacidEnamine_004987Oprea1_176127Oprea1_377405

데이터베이스 식별자

CAS: 33955-17-8
PubChem CID: 679227
DTXSID: DTXSID00350436
ChEMBL: CHEMBL455996
EC Number: 630-955-4
Nikkaji: J2.186.265G

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 94.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 195

물리화학적 성질

저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.