2-메틸-2-티오프세두레아,황산염

2-Methyl-2-thiopseudourea sulfate

HCID 75270CAS 14527-26-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CSC(=N)N.O=S(=O)(O)O
InChIKey: NNBBQNFHCVVQHZ-UHFFFAOYSA-N
분자식: C2H8N2O4S2
평균 분자량: 188.23 g/mol
단동위원소 질량: 187.99254874

이름 및 식별자

우선 이름: 2-Methyl-2-thiopseudourea sulfate
IUPAC: methyl carbamimidothioate;sulfuric acid
현지명: 2-메틸-2-티오프세두레아,황산염
영어명: 2-METHYL-2-THIOPSEUDOUREA,SULFATE
분자식: C2H8N2O4S2
분자량: 188.23

이름 및 동의어

RefChem:475223SMethylisothiourea sulfateSMethylisothiourea hemisulfateSMethylisothiourea sulfate (2:1)SMethylthiouronium sulfate (2:1)Bis(2methylisothiouronium) sulphatePseudourea, 2methyl2thio, hydrogen sulfatePseudourea, 2methyl2thio, sulfate (2:1)Carbamimidothioic acid, methyl, sulfate (2:1)2-Methyl-2-thiopseudourea sulfate14527-26-52260-00-6

이름 더 보기

2-메틸-2-티오프세두레아,황산염Einecs 238-544-8S-METHYLTHIOUREA SULFATEmethylthiopseudoureasulfate2-methylisothiouroniumsulfates-methylpseudothioureasulfates-methylisothioureasulfate(1:1)2-Methyl-2-thiopseudourea monosulfate2-methyl-2-thio-pseudouresulfate(1:1)2-methylisothiouronium hydrogen sulphate

Methyl carbamimidothioate sulfateCarbamimidothioic acid, methyl ester, sulfateCarbamimidothioic acid, methyl ester, sulfate (1:1)S-Methylthiopseudourea sulfatemethyl imidothiocarbamate sulfateUSAF EK-12312-Methyl-2-thiopeudourea sulfateS-Methylisothioureasulfate

데이터베이스 식별자

CAS: 14527-26-5、2260-00-6、867-44-7
PubChem CID: 75270
DTXSID: DTXSID50932549
ChEMBL: CHEMBL1256354
EC Number: 218-860-2、238-544-8

물성

구조 계산 물성

극성 표면적: 158 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 124

물리화학적 성질

저장 조건: RT, stored under nitrogen
EPA: 2 · 2-Methyl-2-thiopseudourea monosulfate (14527-26-5)

안전 및 규제

안전 데이터

위험 등급: IRRITANT

화학 및 산업

용도 및 제조

General Manufacturing InformationCarbamimidothioic acid, methyl ester, sulfate (1:?): INACTIVE

응용 분야

용도Methyl Carbamimidothioate Sulfate is an inhibitor of inducible nitric oxide synthetase (iNOS). It is also used in the preparation of cephalosporins (1-azacephem) and methanesulfonyl chloride.