CAS 34840-23-8 Methyl [[(methoxycarbonyl)amino](methylthio)methylene]carbamate (HCID 98708)

이름 및 식별자

우선 이름: Methyl [[(methoxycarbonyl)amino](methylthio)methylene]carbamate
IUPAC: methyl N-[(methoxycarbonylamino)-methylsulfanylmethylidene]carbamate
영어명: 1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudoeura
분자식: C6H10N2O4S
분자량: 206.22

이름 및 동의어

Methyl (((methoxycarbonyl)amino)(methylthio)methylene)carbamateMETHYL [[(METHOXYCARBONYL)AMINO](METHYLTHIO)METHYLENE]CARBAMATEEINECS 252-240-2EC 252-240-2NSC 160237RefChem:811845252-240-234840-23-81,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudoeuramethyl N-[(methoxycarbonylamino)-methylsulfanylmethylidene]carbamatemethyl N-[(methoxycarbonylamino)-methylsulfanyl-methylene]carbamate

이름 더 보기

Fenbendazole Thiourea Compound1,3-Bis(carbomethoxy)-S-methylisothiourea1,3-dicarboxymethyl-2-methyl-2-thioisourea1,3-Bis-(methoxycarbonyl)-2-methylisothiourea3-Bis(Methoxycarbonyl)-2-Methyl-2-thiopseudourea1,3-BIS(METHOXYCARBONYL)-2-METHYL-2-THIO-PSEUDOUR

MFCD006741041,3-bis(methoxycarbonyl)-S-methylisothiourea2-Methylisothiourea-1,3-dicarboxylate1,3-bis(mSCHEMBL572298SCHEMBL572299SCHEMBL12998079DTXSID20956313

데이터베이스 식별자

CAS: 34840-23-8
PubChem CID: 98708
DTXSID: DTXSID20956313
EC Number: 252-240-2

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 102 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 229

물리화학적 성질

녹는점: 102 · 102-105 °C(lit.)
밀도: 1.3 · 1.30±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
물리적 상태: 고체
산도 계수 (pKa): 6.38 · 6.38±0.46(Predicted)
색상: 하얀색
수용성: 1.2 g/L · 1.2g/L at 15℃
InChI: 1S/C6H10N2O4S/c1-11-5(9)7-4(13-3)8-6(10)12-2/h1-3H3,(H,7,8,9,10)
InChIKey: KHBXLYPOXVQKJG-UHFFFAOYSA-N
SMILES: COC(=O)N\C(SC)=N/C(=O)OC

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 48.8% (41 of 84) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 84 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 11-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16641

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: WGK 3
HS 번호: 2930909899
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야 · 2건

용도1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea may be used in the following syntheses:methyl (6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)carbamate2-amino-5-benzyl-6-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-onemethyl-{5-[(3-hydroxypropyl)thio]-1H-benzo[d]imidazol-2-yl}carbamate (hydroxyalbendazole)methyl-{5-[(4-hydroxyphenyl)thio]-1H-benzo[d]imidazol-2-yl} carbamate (hydroxyfenbendazole)

일반 설명1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea is a thiourea derivative.