2-아미노-4-메틸티아졸-5-카르복실산

2-Amino-4-methyl-thiazole-5-carboxylic acid

HCID 832243CAS 67899-00-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc(N)sc1C(=O)O
InChIKey: QCVFVGONDMKXEE-UHFFFAOYSA-N
분자식: C5H6N2O2S
평균 분자량: 158.18 g/mol
단동위원소 질량: 158.01499843

이름 및 식별자

우선 이름: 2-Amino-4-methyl-thiazole-5-carboxylic acid
IUPAC: 2-amino-4-methyl-1,3-thiazole-5-carboxylic acid
현지명: 2-아미노-4-메틸티아졸-5-카르복실산
영어명: 2-Amino-4-methylthiazole-5-carboxylic acid
분자식: C5H6N2O2S
분자량: 158.18

이름 및 동의어

2-Amino-4-methyl-thiazole-5-carboxylic acidRefChem:464328675-849-92-Amino-4-methylthiazole-5-carboxylic acid67899-00-72-amino-4-methyl-1,3-thiazole-5-carboxylic acidMFCD01853938Oprea1_443956SCHEMBL179966DTXSID10356767WLZ4029ALBB-004691

이름 더 보기

2-아미노-4-메틸티아졸-5-카르복실산AKOS BB-9207ASISCHEM A63072BUTTPARK 34\01-16TIMTEC-BB SBB0021415-Carboxy-4-methyl-1,3-thiazol-2-amine2-amino-4-methyl-5-thiazolecarboxylic acid5-Thiazolecarboxylic acid, 2-aMino-4-Methyl-

BBL005562SBB002141STK346806AKOS000303171AS-5520CS-W010897methyl 2-aminothiazol-5-carboxylic acidSY024592

데이터베이스 식별자

CAS: 67899-00-7
PubChem CID: 832243
DTXSID: DTXSID10356767
EC Number: 675-849-9
Nikkaji: J1.278.265I

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 104 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 166 · 166-170°C
끓는 점: 400.6 · 400.6±25.0 °C(Predicted)
밀도: 1.532 · 1.532±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 2.13 · 2.13±0.37(Predicted)
물리적 상태: solid

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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.