티오사이클람 하이드로젠 옥살레이트

Thiocyclam hydrogen oxalate

HCID 35969CAS 31895-22-4

기본 정보

표준 SMILES: CN(C)C1CSSSC1.O=C(O)C(=O)O
InChIKey: ICTQUFQQEYSGGJ-UHFFFAOYSA-N
분자식: C7H13NO4S3
평균 분자량: 271.4 g/mol
단동위원소 질량: 271.0006709

개요

Thiocyclam oxalate is an oxalate salt resulting from the formal reaction of equimolar amounts of thiocyclam and oxalic acid. A nicotinic acetylcholine receptor agonist, it was used as a broad-spectrum insecticide. It is not approved for use within the European Union. It has a role as an insecticide, an agrochemical and a nicotinic acetylcholine receptor agonist. It contains a thiocyclam(1+) and an oxalate(1-).

이름 및 식별자

우선 이름: Thiocyclam hydrogen oxalate
IUPAC: N,N-dimethyltrithian-5-amine;oxalic acid
현지명: 티오사이클람 하이드로젠 옥살레이트
영어명: Thiocyclam hydrogen oxalate
분자식: C7H13NO4S3
분자량: 271.36

이름 및 동의어

Thiocyclam hydrogen oxalateThiocyclam oxalate31895-22-4EvisektDTXSID0047036G3LOM1T4X95-Dimethylamino-1,2,3-trithiane hydrogen oxalateN,N-Dimethyl-1,2,3-trithian-5-amine hydrogenoxalateN,N-Dimethyl-1,2,3-trithian-5-ylammonium hydrogen oxalateDTXCID8027036CHEBI:133553N,N-dimethyl-1,2,3-trithian-5-amine ethanedioate (1:1)

이름 더 보기

티오사이클람 하이드로젠 옥살레이트san155san1551san155iNERISECTSulfoxaneFICOLL(R)hiocyclamoxalate

N,N-dimethyl-1,2,3-trithian-5-ylamine oxalate (1:1)RefChem:1099999250-859-2EvisectEvisect SThiocyclam hydrogenoxalateN,N-dimethyltrithian-5-amine;oxalic acidThiocyclam oxalate [ISO]

데이터베이스 식별자

CAS: 31895-22-4
PubChem CID: 35969
DTXSID: DTXSID0047036
ChEMBL: CHEMBL2270412
ChEBI: CHEBI:133553
UNII: G3LOM1T4X9
EC Number: 250-859-2

물성

구조 계산 물성

극성 표면적: 154 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 152

물리화학적 성질

증기압: 5.45 x · 5.45 x 10-4 Pa (20 °C)
인화점: 130 °C · 130 °C
저장 조건: 0 · 0-6°C
산도 계수 (pKa): 3.95 · 3.95 (acid), 7.0 (base)
수용성: 16.3 g · 16.3g l-1(20°C, pH 6.8)
BRN: 4771240 · 4771240
주요 응용: 농업환경
InChI: 1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)
InChIKey: ICTQUFQQEYSGGJ-UHFFFAOYSA-N
SMILES: OC(=O)C(O)=O.CN(C)C1CSSSC1
EPA: Thiocyclam hydrogen oxalate (31895-22-4)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

H302+H312 (40%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P264, P270, P273, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)

유해성 정보

Hazard Classes and Categories · 3건

Acute Tox. 4 (97.1%)

Acute toxicity - category 4

Acute Tox. 4 *

안전 데이터

wgk: 3
rtecs: YL8300000
ridadr: 2588
risk_code: 21/22-50/53
hazard_code: Xn,N
safety_code: 36/37-46-60-61
포장분류: III
위험 등급: 6.1(b)
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도Thiocyclam is used to protect against Lepidoptera, Coleoptera, some Diptera and Thysanoptera. It is used to control Colorado beetle in potatoes, Lepidoptera and Coleoptera pest complexes in rape, stem borers in irrigated rice, corn borers and Tanymecus in maize, weevils and other Coleoptera in sugar beet, stem borers in sugar cane, Lepidoptera in fruit trees and leaf miners in vegetables.

상·하류 제품 정보

상류 원료

N,N-디메틸아세트아미드 염화알릴

하류 제품

티오시클람

공급사50 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

추가 설명 · 1건

정의ChEBI: An oxalate salt resulting from the formal reaction of equimolar amounts of thiocyclam and oxalic acid. A nicotinic acetylcholine receptor agonist, it was used as a broad-spectrum insecticide. It is not approved for use within the European Union.

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