2-아미노-6-메틸벤조티아졸

2-Amino-6-methylbenzothiazole

HCID 17335CAS 2536-91-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc2nc(N)sc2c1
InChIKey: DZWTXWPRWRLHIL-UHFFFAOYSA-N
분자식: C8H8N2S
평균 분자량: 164.23 g/mol
단동위원소 질량: 164.04081926

이름 및 식별자

우선 이름: 2-Amino-6-methylbenzothiazole
IUPAC: 6-methyl-1,3-benzothiazol-2-amine
현지명: 2-아미노-6-메틸벤조티아졸
영어명: 2-Amino-6-methylbenzothiazole
분자식: C8H8N2S
분자량: 164.23

이름 및 동의어

2-Amino-6-methylbenzothiazole2536-91-66-Methyl-1,3-benzothiazol-2-amine2-Benzothiazolamine, 6-methyl-6-Methyl-2-aminobenzothiazole6-Methyl-2-benzothiazolylamineBENZOTHIAZOLE, 2-AMINO-6-METHYL-2-Methylbenzothiazol-2-amine6-Methyl-2-benzothiazolamineSKF 1045NSC 127602-Amino-6-methyl-benzothiazole

이름 더 보기

2-아미노-6-메틸벤조티아졸6-METHYLBENZO[D]THIAZOL-2-AMINEAURORA 18562ASISCHEM C58427AKOS BBS-00005695IFLAB-BB F1386-0393TIMTEC-BB SBB000152Amino-6-methylbenzothiazole2-Amino-6-methylbenzthiazol

6-Methylbenzothiazol-2-ylamineNSC 118944EINECS 219-801-3BRN 0122040NSC-127606-methyl-1,3-benzothiazol-2-ylamine8372J8V89NNSC-118944

데이터베이스 식별자

CAS: 2536-91-6
PubChem CID: 17335
DTXSID: DTXSID0062501
ChEMBL: CHEMBL94512
UNII: 8372J8V89N
EC Number: 219-801-3
Nikkaji: J36.087B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 67.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 140 · 140-142 °C (lit.)
끓는 점: 322 · 322.0±35.0 °C(Predicted)
밀도: 1.1724 · 1.1724 (rough estimate)
굴절률: 1.57 · 1.5700 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystalline
산도 계수 (pKa): 4.41 · 4.41±0.10(Predicted)
색상: White to Orange to Green
NIST: 2 · 2-Benzothiazolamine, 6-methyl-(2536-91-6)
EPA: 2 · 2-Benzothiazolamine, 6-methyl- (2536-91-6)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 2-Benzothiazolamine, 6-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: DL2625000
HS 번호: 29342000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39

화학 및 산업

용도 및 제조

General Manufacturing Information2-Benzothiazolamine, 6-methyl-: INACTIVE

응용 분야

용도2-Amino-6-methylbenzothiazole was used in the preparation of 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-[2-(substituted phenyl/furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]nicotinamides.

일반 설명The anti-tetanus activity of 2-amino-6-methylbenzothiazole, a muscle relactant, was studied.