RARECHEM알BD0181

(5-Methylthiophen-2-yl)methanol

HCID 528074CAS 63826-59-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(CO)s1
InChIKey: YAWGNFISLHMUDV-UHFFFAOYSA-N
분자식: C6H8OS
평균 분자량: 128.19 g/mol
단동위원소 질량: 128.02958588

이름 및 식별자

우선 이름: (5-Methylthiophen-2-yl)methanol
IUPAC: (5-methylthiophen-2-yl)methanol
현지명: RARECHEM알BD0181
영어명: RARECHEM AL BD 0181
분자식: C6H8OS
분자량: 128.19

이름 및 동의어

(5-methylthiophen-2-yl)methanolRefChem:404145811-973-363826-59-5(5-methyl-2-thienyl)methanolMFCD062026275-Methyl-2-thiophenemethanol2-thiophenemethanol, 5-methyl-SCHEMBL93014SCHEMBL1277865-methyl-2-thiophene methanolSCHEMBL27829407

이름 더 보기

RARECHEM알BD0181RARECHEM AL BDRARECHEM AL BD 01815-METHYL THIOPHENE-2-METHANOL(5-Methylthiophen-2-yl)methanol - [M90197]

5-methyl-2-hydroxymethylthiopheneDTXSID703359372-Hydroxymethyl-5-methyl-thiophene(5-methyl-thiophen-2-yl)-methanolNCA82659AKOS000321035BS-3765SY083528

데이터베이스 식별자

CAS: 63826-59-5
PubChem CID: 528074
DTXSID: DTXSID70335937
EC Number: 811-973-3
Nikkaji: J1.480.180D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 48.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 74.9

물리화학적 성질

저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C

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, P317, 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.