2-아미노-5-TERT-부틸-1,3,4-티아디아졸

Buthidazolamine

HCID 170170

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 39222-73-6
표준 SMILES: CC(C)(C)c1nnc(N)s1
InChIKey: ICXDPEFCLDSXLI-UHFFFAOYSA-N
분자식: C6H11N3S
평균 분자량: 157.24 g/mol
단동위원소 질량: 157.06736835

이름 및 식별자

우선 이름: Buthidazolamine
IUPAC: 5-tert-butyl-1,3,4-thiadiazol-2-amine
현지명: 2-아미노-5-TERT-부틸-1,3,4-티아디아졸
영어명: 2-Amino-5-tert-butyl-1,3,4-thiadiazole
분자식: C6H11N3S
분자량: 157.24

이름 및 동의어

39222-73-65-tert-Butyl-1,3,4-thiadiazol-2-amine2-Amino-5-tert-butyl-1,3,4-thiadiazoleButhidazolamine1,3,4-Thiadiazol-2-amine, 5-(1,1-dimethylethyl)-X53J1T94SNEINECS 254-364-2DTXSID90681685-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-amine5-TERT-BUTYL-2-AMINO-1,3,4-THIADIAZOLE2-DIMETHYLETHYL-5-AMINO-1,3,4-THIADIAZOLERefChem:571604

이름 더 보기

2-아미노-5-TERT-부틸-1,3,4-티아디아졸AKOS BBS-00004582TIMTEC-BB SBB0040052-Amino-5-tert-butylthiadiazole2-tert-Butyl-5-aMino-1,3,4-thiadiazole2-AMino-5-tert-butyl-1,3,4-thiadiazole 97%4-thiadiazol-2-amine,5-(1,1-dimethylethyl)-3

DTXCID30396125-(tert-Butyl)-1,3,4-thiadiazol-2-amineMFCD000404035-tert-Butyl-[1,3,4]thiadiazol-2-ylamine2-Amino-5-tertbutyl-1,3,4-thiadiazole5-(tert-butyl)-1,3,4-thiadiazole-2-ylamineUNII-X53J1T94SNTebuthiuron TP 108

데이터베이스 식별자

CAS: 39222-73-6
PubChem CID: 170170
DTXSID: DTXSID9068168
UNII: X53J1T94SN
EC Number: 254-364-2
Nikkaji: J24.649B

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 80 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 121

실험 및 물리화학적 성질

PesticidesPesticide degradation product

물리화학적 성질

녹는점: 183 · 183-187 °C(lit.)
끓는 점: 272.3 · 272.3±23.0 °C(Predicted)
밀도: 1.17 · 1.170±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 3.99 · 3.99±0.10(Predicted)
색상: 노란색 결정체
BRN: 119853 · 119853
InChI: 1S/C6H11N3S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3,(H2,7,9)
InChIKey: ICXDPEFCLDSXLI-UHFFFAOYSA-N
SMILES: CC(C)(C)c1nnc(N)s1
EPA: 1 · 1,3,4-Thiadiazol-2-amine, 5-(1,1-dimethylethyl)- (39222-73-6)

화학적 성질

Yellow Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3건

Tebuthiuron TP 108

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

안전 데이터

wgk: 3
tsca: TSCA listed
risk_code: 20/22
hazard_code: Xn,Xi
safety_code: 22-26-36
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information1,3,4-Thiadiazol-2-amine, 5-(1,1-dimethylethyl)-: ACTIVE

응용 분야

용도Intermediate in the production on Buthidazole.

일반 설명2-Amino-5-tert-butyl-1,3,4-thiadiazole (ABTD) is a thiadiazole derivative. It inhibits the corrosion of brass in sea water samples.

상·하류 제품 정보

상류 원료

공급사61 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]

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

Syntechem Co.,Ltd[email protected]

화합물 노트

불러오는 중…