메타술포캅

Methasulfocarb

HCID 93362CAS 66952-49-6

기본 정보

표준 SMILES: CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1
InChIKey: IXJOSTZEBSTPAG-UHFFFAOYSA-N
분자식: C9H11NO4S2
평균 분자량: 261.3 g/mol
단동위원소 질량: 261.01294983

개요

Methasulfocarb is a monothiocarbamic ester that is phenyl methanesulfonate in which the hydrogen at position 4 is replaced by a (methylcarbamoyl)sulfanediyl group. It is a fungicide used for the treatment of a range of fungal diseases in rice. It is a methanesulfonate ester and a monothiocarbamic ester.

이름 및 식별자

우선 이름: Methasulfocarb
IUPAC: [4-(methylcarbamoylsulfanyl)phenyl] methanesulfonate
현지명: 메타술포캅
영어명: Methasulfocarb
분자식: C9H11NO4S2
분자량: 261.32

이름 및 동의어

Methasulfocarb66952-49-6KayabestMethasulfocarb [ISO]BRN 2219123NK-191UNII-KWW71T2ANCKWW71T2ANCCarbamothioic acid, methyl-, S-(4-((methylsulfonyl)oxy)phenyl) esterS-4-(mesyloxy)phenyl methyl(thiocarbamate)4-[(methylcarbamoyl)sulfanyl]phenyl methanesulfonateS-(4-Methylsulfonyloxyphenyl)-N-methylthiocarbamate

이름 더 보기

메타술포캅카밤오티오산, 메틸-, S-[4-[(메틸설폰일)옥시]페닐] 에스터N-메틸카밤오싸이오산, S-[4-[(메틸설폰일)옥시]페닐] 에스터S-(4-메틸설폰일옥시페닐) N-메틸 싸이오카바메이트메타설포카브메틸카밤오싸이오산, S-[4-[(메틸설폰일)옥시]페닐] 에스터METHANSULFOCARBMethasulfocarb SolutionMethasulfocarb, 10 mM in DMSOFungal,Methasulfocarb,Inhibitor,inhibitMethasulfocarb Solution in Acetonitrile4-((MethylcarbaMoyl)thio)phenyl Methanesulfonate

DTXSID9058155CHEBI:81933Methylcarbamothioic acid S-(4-((methylsulfonyl)oxy)phenyl) esterS-[4-[(methylsulfonyl)oxy]phenyl] N-methylcarbamothioateS-[4-(methanesulfonyloxy)phenyl] methylcarbamothioateS-(4-((METHYLSULFONYL)OXY)PHENYL) N-METHYLCARBAMOTHIOATE4-((methylcarbamoyl)sulfanyl)phenyl methanesulfonateS-(4-(methanesulfonyloxy)phenyl) methylcarbamothioate

데이터베이스 식별자

CAS: 66952-49-6
PubChem CID: 93362
DTXSID: DTXSID9058155
ChEBI: CHEBI:81933
UNII: KWW71T2ANC
EC Number: 614-003-5
Nikkaji: J1.135E

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 106 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 328

물리화학적 성질

녹는점: 137 °C · 137 °C
밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: DMSO에 용해됨
산도 계수 (pKa): 12.44 · 12.44±0.46(Predicted)
BRN: 2219123 · 2219123
주요 응용: 농업환경
InChI: 1S/C9H11NO4S2/c1-10-9(11)15-8-5-3-7(4-6-8)14-16(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKey: IXJOSTZEBSTPAG-UHFFFAOYSA-N
SMILES: CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 3 (100%)

Acute toxicity (Oral) - Category 3

안전 데이터

wgk: 2
ridadr: UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
risk_code: 25-51/53
hazard_code: T,N
safety_code: 45-61
기존화학 물질: KE-05-0823
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 메타술포캅 및 이를 1% 이상 함유한 혼합물
유해화학물질 필터링: 97-1-71

화학 및 산업

응용 분야

용도Methasulfocarb is a fungicide used in the treatment of bacterial seedling rot of rice.

공급사26 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

MedChemexpress LLC021-58955995 · [email protected]

BOC Sciences1-631-485-4226; 16314854226 · [email protected]

추가 설명

정의ChEBI: A monothiocarbamic ester that is phenyl methanesulfonate in which the hydrogen at position 4 is replaced by a (methylcarbamoyl)sulfanediyl group. It is a fungicide used for the treatment of a range of fungal diseases in rice.

연결된 노트

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