1-(2-메틸메르캅토페닐)피페라진

1-(2-(Methylthio)phenyl)piperazine

HCID 2736895

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1013-24-7
표준 SMILES: CSc1ccccc1N1CCNCC1
InChIKey: RXJURXTXLCOIDY-UHFFFAOYSA-N
분자식: C11H16N2S
평균 분자량: 208.33 g/mol
단동위원소 질량: 208.10341951

이름 및 식별자

우선 이름: 1-(2-(Methylthio)phenyl)piperazine
IUPAC: 1-(2-methylsulfanylphenyl)piperazine
현지명: 1-(2-메틸메르캅토페닐)피페라진
영어명: 1-(2-Methylmercaptophenyl)piperazine
분자식: C11H16N2S
분자량: 208.32

이름 및 동의어

1013-24-71-[2-(methylthio)phenyl]piperazine1-(2-(Methylthio)phenyl)piperazineDTXSID40371685RefChem:223093DTXCID003227191-(2-Methylmercaptophenyl)piperazine1-[2-(Methylsulfanyl)phenyl]piperazine1-(2-methylsulfanylphenyl)piperazineMFCD000407951-(2-methylthiophenyl)piperazinePiperazine, 1-[o-(methylthio)phenyl]-

이름 더 보기

1-(2-메틸메르캅토페닐)피페라진Methylmercaptophenylpiperazine1-[o-(methylthio)phenyl]-Piperazine1-[2-(Methylthio)phenyl]piperazine96%1-[2-(Methylthio)phenyl]piperazine 96%

Piperazine, 1-[2-(methylthio)phenyl]-Piperazine,1-[2-(methylthio)phenyl]-SCHEMBL336256CHEMBL5042931-methylthio-2-piperazinylbenzeneRXJURXTXLCOIDY-UHFFFAOYSA-N1-(2-methylthiophenyl)-piperazineAKOS005765925

데이터베이스 식별자

CAS: 1013-24-7
PubChem CID: 2736895
DTXSID: DTXSID40371685
ChEMBL: CHEMBL504293
EC Number: 674-740-3

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 40.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 169

물리화학적 성질

끓는 점: 139 °C · 139 °C

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)

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