5-메틸-4-페닐-티아졸-2-일라민

2-Amino-4-phenyl-5-methylthiazole

HCID 96129CAS 30709-67-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1sc(N)nc1-c1ccccc1
InChIKey: HTXQOROHFFYFMC-UHFFFAOYSA-N
분자식: C10H10N2S
평균 분자량: 190.27 g/mol
단동위원소 질량: 190.05646932

이름 및 식별자

우선 이름: 2-Amino-4-phenyl-5-methylthiazole
IUPAC: 5-methyl-4-phenyl-1,3-thiazol-2-amine
현지명: 5-메틸-4-페닐-티아졸-2-일라민
영어명: 5-METHYL-4-PHENYL-THIAZOL-2-YLAMINE
분자식: C10H10N2S
분자량: 190.26

이름 및 동의어

30709-67-22-Amino-5-methyl-4-phenylthiazole5-Methyl-4-phenyl-1,3-thiazol-2-amine5-Methyl-4-phenyl-2-thiazolamineThiazole, 2-amino-5-methyl-4-phenyl-2-Amino-4-phenyl-5-methylthiazole2-Thiazolamine,5-methyl-4-phenyl-LE89AC2WOONSC 54435BRN 0137628NSC-54435DTXSID60184734

이름 더 보기

5-메틸-4-페닐-티아졸-2-일라민AURORA 8494AKOS B000315AKOS BC-1558AKOS BBS-00004742TIMTEC-BB SBB009161ART-CHEM-BB B000315CHEMBRDG-BB 4102420IFLAB-BB F1386-0374

4-27-00-04978 (Beilstein Handbook Reference)RefChem:464363DTXCID00107225626-279-45-Methyl-4-phenyl-thiazol-2-ylamine5-methyl-4-phenylthiazol-2-amineMFCD006172572-Thiazolamine, 5-methyl-4-phenyl-

데이터베이스 식별자

CAS: 30709-67-2
PubChem CID: 96129
DTXSID: DTXSID60184734
ChEMBL: CHEMBL172066
UNII: LE89AC2WOO
EC Number: 626-279-4
Nikkaji: J1.397.375J

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 67.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 168

실험 및 물리화학적 성질

LogP2.75

물리화학적 성질

녹는점: 122 · 122-126 °C
끓는 점: 350 ℃ · 350℃
밀도: 1.219 · 1.219
인화점: 165 ℃ · 165℃
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 10 mg/mg; · DMF: 10 mg/mg; DMSO: 10 mg/mg; Ethanol: 12.5 mg/ml; PBS (pH 7.2): 0.15 mg/ml
물리적 상태: 결정성 고체
산도 계수 (pKa): 4.81 · 4.81±0.10(Predicted)
InChI: 1S/C10H10N2S/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12)
InChIKey: HTXQOROHFFYFMC-UHFFFAOYSA-N
SMILES: Cc1sc(N)nc1-c2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.