4-메틸-5-티아졸릴메탄올

(4-Methyl-1,3-thiazol-5-yl)methanol

HCID 10329317

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1977-06-6
표준 SMILES: Cc1ncsc1CO
InChIKey: ZSPCITYHOYJDBW-UHFFFAOYSA-N
분자식: C5H7NOS
평균 분자량: 129.18 g/mol
단동위원소 질량: 129.02483484

이름 및 식별자

우선 이름: (4-Methyl-1,3-thiazol-5-yl)methanol
IUPAC: (4-methyl-1,3-thiazol-5-yl)methanol
현지명: 4-메틸-5-티아졸릴메탄올
영어명: 4-Methyl-5-thiazolyl methanol
분자식: C5H7NOS
분자량: 129.18

이름 및 동의어

(4-methyl-1,3-thiazol-5-yl)methanol1977-06-6DTXSID00438102RefChem:208900DTXCID30388924818-896-4(4-Methylthiazol-5-yl)methanol5-Thiazolemethanol, 4-methyl-4-methyl-5-(hydroxymethyl)thiazoleMFCD090329114-Methyl-5-thiazolemethanol4-Methyl-5-thiazolyl methanol

이름 더 보기

4-메틸-5-티아졸릴메탄올2,3,4,5,6,7-hexahydroxyheptanal(4-methyl-1,3-thiazole-5-yl)methylol2,3,4,5,6,7-hexahydroxyenanthaldehyde

(4-Methylthiazol-5-yl)SCHEMBL858586SCHEMBL2441506SCHEMBL5265018(4-Methyl-5-thiazolyl)methanol4-methyl-5-hydroxymethyl thiazoleZSPCITYHOYJDBW-UHFFFAOYSA-NALBB-030274

데이터베이스 식별자

CAS: 1977-06-6
PubChem CID: 10329317
DTXSID: DTXSID00438102
EC Number: 818-896-4
Nikkaji: J2.083.695D

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 61.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 78.8

물리화학적 성질

녹는점: 65.8 · 65.8-66.2 °C
끓는 점: 113 · 113-114 °C(Press: 2 Torr)
밀도: 1.24 g/cm3 · 1.240 g/cm3(Temp: 26 °C)
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 13 · 13+-.0.10(Predicted)
InChI: InChI=1S/C5H7NOS/c1-4-5(2-7)8-3-6-4/h3,7H,2H2,1H3
InChIKey: ZSPCITYHOYJDBW-UHFFFAOYSA-N
SMILES: S1C(CO)=C(C)N=C1
LogP: 0.055 · 0.055 (est)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.