메틸아미노메타니미도티오에이트하이드로이오다이드

S-methylthiouronium iodide

HCID 197812CAS 4338-95-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CSC(=N)N.I
InChIKey: LFXAECSQJSRSTP-UHFFFAOYSA-N
분자식: C2H7IN2S
평균 분자량: 218.06 g/mol
단동위원소 질량: 217.93747

이름 및 식별자

우선 이름: S-methylthiouronium iodide
IUPAC: methyl carbamimidothioate;hydroiodide
현지명: 메틸아미노메타니미도티오에이트하이드로이오다이드
영어명: Methyl aminomethanimidothioate hydroiodide
분자식: C2H7IN2S
분자량: 218.06

이름 및 동의어

S-Methylthiouronium iodideRefChem:884268224-391-44338-95-8Methyl aminomethanimidothioate hydroiodideS-Methylisothiourea hydroiodidemethyl carbamimidothioate hydroiodidemethyl carbamimidothioate;hydroiodideMethylthiouronium iodideMFCD000355982-Methyl-2-thiopseudourea hydroiodide2-Methyl-isothiourea; hydriodide

이름 더 보기

메틸아미노메타니미도티오에이트하이드로이오다이드hydriodidemethylthiouroniumiodides-methylthiuroniumiodides-methylthiouroniumiodide2-methylisothiouroniumiodides-methylisothiouroniumiodides-methylisothioureahydriodide2-Methyl-isothiourea: hydriodide

(methylsulfanyl)methanimidamide hydroiodideNSC-142512Sulfiodemethylthiocarboxamidine, iodideS-Methylthiuronium iodide2-Methylisothiouronium iodideS-Methylisothiouronium iodideS-Methylisothiourea hydriodide

데이터베이스 식별자

CAS: 4338-95-8
PubChem CID: 197812
UNII: 54P7E3EDR4
EC Number: 224-391-4

물성

구조 계산 물성

극성 표면적: 75.2 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 42

물리화학적 성질

녹는점: 82 °C · 82 °C
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 고체
색상: 노란색
InChI: 1S/C2H6N2S.HI/c1-5-2(3)4;/h1H3,(H3,3,4);1H
InChIKey: LFXAECSQJSRSTP-UHFFFAOYSA-N
SMILES: I.CSC(N)=N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): 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+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)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2930909899
risk_code: 22-36
hazard_code: Xn
safety_code: 26
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야

용도2-Methyl-2-isothiourea Hydriodide is used as a reactant in the synthesis of alkyl/acyl guanidines and pyrimidine derivatives. It can also be used as a catalyst in the rearrangement of penicillin 1-oxides.