2-메틸티오-2-이미다졸린수소화물

1H-Imidazole, 4,5-dihydro-2-(methylthio)-, hydriodide (1:1)

HCID 12221228

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5464-11-9
표준 SMILES: CSC1=NCCN1.I
InChIKey: PZZRSEUDGCFXIH-UHFFFAOYSA-N
분자식: C4H9IN2S
평균 분자량: 244.1 g/mol
단동위원소 질량: 243.95311729

이름 및 식별자

우선 이름: 1H-Imidazole, 4,5-dihydro-2-(methylthio)-, hydriodide (1:1)
IUPAC: 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodide
현지명: 2-메틸티오-2-이미다졸린수소화물
영어명: 2-Methylthio-2-imidazoline hydriodide
분자식: C4H9IN2S
분자량: 244.1

이름 및 동의어

5464-11-9RefChem:10579301H-Imidazole, 4,5-dihydro-2-(methylthio)-, hydriodide (1:1)2-Methylthio-2-imidazoline hydriodide2-(methylthio)-4,5-dihydro-1H-imidazole hydroiodideMFCD000051812-Methylthio-2-imidazoline, Hydroiodide2-Methylsulfanyl-4,5-dihydro-1H-imidazole hydrogen iodide2-(methylsulfanyl)-4,5-dihydro-1H-imidazole hydroiodide2-(Methylthio)-4,5-dihydroimidazole Hydroiodide2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydroiodidehydron;2-methylsulfanyl-4,5-dihydro-1H-imidazole;iodide

이름 더 보기

2-메틸티오-2-이미다졸린수소화물2-METHYLTHIO-2-IMIDAZOLINE HYDROIODIDE2-(Methylthio)imidazolinium iodide.2-Methylthio-2-imidazolin Hydroiodide2-Methylthio-2-imidazoline hydriodide 99%2-Methylthio-2-iMidazoline Monohydroiodide2-METHYLTHIO-2-IMIDAZOLINE HYDRIODIDE, 9 9%3-Methylthio-4,5-dihydroiMidazole Hydroiodide2-Methylthio-2-iMidazoline hydriodide, 99% 25GR

AKOS0033839742-methylsulfanyl-4,5-dihydro-1H-imidazol-3-ium;iodideF2147-03102-(Methylthio)imidazolinium iodide2-Methylmercapto-4,5-dihydroimidazole Hydroiodide2-Imidazoline, monohydriodideSCHEMBL315802DTXSID10969912

데이터베이스 식별자

CAS: 5464-11-9
PubChem CID: 12221228
DTXSID: DTXSID10969912
EC Number: 226-756-3

물성

구조 계산 물성

극성 표면적: 49.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 89.7

물리화학적 성질

녹는점: 144 · 144-146 °C(lit.)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1S/C4H8N2S.HI/c1-7-4-5-2-3-6-4;/h2-3H2,1H3,(H,5,6);1H
InChIKey: PZZRSEUDGCFXIH-UHFFFAOYSA-N
SMILES: C1(SC)=NCCN1.I

화학적 성질

White Solid

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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29332900
safety_code: 24/25

화학 및 산업

응용 분야

용도2-Methylthio-2-imidazoline hydriodide was used in the preparation of starting materials required for the synthesis of 2-amino1-(2-Imidazolin-2-yl)-2-imidazoline.