티디아주론

Thidiazuron

HCID 40087CAS 51707-55-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Nc1ccccc1)Nc1cnns1
InChIKey: HFCYZXMHUIHAQI-UHFFFAOYSA-N
분자식: C9H8N4OS
평균 분자량: 220.25 g/mol
단동위원소 질량: 220.04188206

이름 및 식별자

우선 이름: Thidiazuron
IUPAC: 1-phenyl-3-(thiadiazol-5-yl)urea
현지명: 티디아주론
영어명: Thidiazuron
분자식: C9H8N4OS
분자량: 220.25

이름 및 동의어

THIDIAZURON51707-55-21-Phenyl-3-(1,2,3-thiadiazol-5-yl)ureaDefolitDropp1-phenyl-3-(thiadiazol-5-yl)ureaN-Phenyl-N'-1,2,3-thiadiazol-5-ylureaDTXSID0032651SN 495370091WH7STF(N-1,2,3-Thiadiazolyl-5)-N'-phenylureaDTXCID8012651

이름 더 보기

티디아주론1-페닐-3-3(1,2,3-시아디아졸-5-일)우레아TDZThiadiazuronThidiazuroneLiftsn49537AvguronDROPP(R)Dropp SC

RefChem:189333N'-phenyl-N-(1,2,3-thiadiazol-5-yl)carbamimidic acid257-356-7Urea, N-phenyl-N'-1,2,3-thiadiazol-5-yl-C9H8N4OSMFCD000787235-Phenylcarbamoylamino-1,2,3-thiadiazoleCHEMBL505661

데이터베이스 식별자

CAS: 51707-55-2
PubChem CID: 40087
DTXSID: DTXSID0032651
ChEMBL: CHEMBL505661
ChEBI: CHEBI:81977
UNII: 0091WH7STF
EC Number: 257-356-7
Nikkaji: J11.216J

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 95.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 220

물리화학적 성질

녹는점: 213 °C · 213°C
밀도: 1.3493 · 1.3493 (rough estimate)
굴절률: 1.639 · 1.6390 (estimate)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: DMSO에 용해됨
산도 계수 (pKa): 12.06 · 12.06±0.70(Predicted)
물리적 상태: Solid
색상: Light yellow to yellow
Merck: 13 · 13,9384
BRN: 1078092 · 1078092
Henry's Law Constant: 3 · 3.0×107 mol/(m3Pa) at 25℃, HSDB (2015)
주요 응용: 농업
InChI: InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
InChIKey: HFCYZXMHUIHAQI-UHFFFAOYSA-N
SMILES: N(C1=CC=CC=C1)C(NC1SN=NC=1)=O
EPA: Thidiazuron (51707-55-2)

화학적 성질 · 1건

The pure product is a white odorless and tasteless crystalline solid. m.p.210～212.5°C (decomposition at 217°C), vapor pressure 4×10-9Pa) (25°C). Solubility at 25°C: dimethyl sulfoxide>500g/L, dimethylformamide>500g/L, cyclohexanone 21.5g/L, acetone 8g/L, methanol 4.5g/L, ethyl acetate 0.8 g/L, hexane 6mg/L, insoluble in aliphatic and aromatic hydrocarbons, solubility in water 31mg/L. The partition coefficient is 59 (pH=7.3). Stable below 200°C; stable to water at room temperature, half-life > 24d; half-life in soil

안전 및 규제

안전 데이터

wgk: 3
rtecs: YU1395000
ridadr: UN 3077 9 / PGIII
독성: LC50 (96-hour) for bluegill sunsh, channel catsh and rainbow trout >1,000 mg/L (Hartley and Kidd, 1987); acute oral LD50 for rats >5,000 mg/kg (Hartley and Kidd, 1987), 5,350 mg/kg (RTECS, 1985).
HS 번호: 2934999090
risk_code: 36/37/38-51/53
hazard_code: Xi,N
safety_code: 22-26-36-61
기존화학 물질: 2013-3-5629
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids
유해 물질 데이터: 51707-55-2(Hazardous Substances Data)

화학 및 산업

응용 분야

용도Thidiazuron is a non-purine containing urea derivative with cytokinin activity. Thidiazuron is used as a cotton defoliant and a plant growth regulator in tissue culture.

일반 설명Thidiazuron is a systemic herbicide, widely employed as an effective plant growth regulator and pre-harvest defoliant for crops such as cotton.

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

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

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉远启医药化工有限公司18971192297 · [email protected]

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