(2-아미노-3-티에닐)(페닐)메탄온

(2-Aminothiophen-3-yl)(phenyl)methanone

HCID 644720CAS 21582-44-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1sccc1C(=O)c1ccccc1
InChIKey: VXIMIQNIBMDZCM-UHFFFAOYSA-N
분자식: C11H9NOS
평균 분자량: 203.26 g/mol
단동위원소 질량: 203.04048491

이름 및 식별자

우선 이름: (2-Aminothiophen-3-yl)(phenyl)methanone
IUPAC: (2-aminothiophen-3-yl)-phenylmethanone
현지명: (2-아미노-3-티에닐)(페닐)메탄온
영어명: (2-Amino-3-thienyl)(phenyl)methanone
분자식: C11H9NOS
분자량: 203.26

이름 및 동의어

21582-44-5(2-AMINOTHIOPHEN-3-YL)(PHENYL)METHANONEDTXSID50349395RefChem:205779DTXCID90300465(2-amino-3-thienyl)(phenyl)methanone3-benzoylthiophen-2-amine(2-aminothiophen-3-yl)-phenylmethanone2-Amino-3-benzoylthiopheneMFCD01927388(2-Amino-thiophen-3-yl)-phenyl-methanone(2-amino-3-thienyl)-phenyl-methanone

이름 더 보기

(2-아미노-3-티에닐)(페닐)메탄온(2-aminothien-3-yl)(phenyl)methanoneMethanone, (2-amino-3-thienyl)phenyl-(2-amiNAthiophen-3-yl)(phenyl)methaNAneJR-6481, (2-Aminothiophen-3-yl)(phenyl)methanone, 97%

MLS000071577Oprea1_069663Oprea1_2264472-Amino-3-benzoyl-thiopheneCHEMBL292368SCHEMBL1424722VXIMIQNIBMDZCM-UHFFFAOYSA-N2-amino(3-thienyl) phenyl ketone

데이터베이스 식별자

CAS: 21582-44-5
PubChem CID: 644720
DTXSID: DTXSID50349395
ChEMBL: CHEMBL292368
EC Number: 978-823-8
Nikkaji: J370.496C

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 71.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 213

물리화학적 성질

녹는점: 149 · 149-151°
끓는 점: 397 · 397.0±27.0 °C(Predicted)
밀도: 1.275 · 1.275±0.06 g/cm3(Predicted)
산도 계수 (pKa): -1.39 · -1.39±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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.