3-Mercapto-2-methylthiophene

HCID 75664CAS 2527-76-6

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기본 정보

표준 SMILES: Cc1sccc1S
InChIKey: AQXLMAYNBMTBHD-UHFFFAOYSA-N
분자식: C5H6S2
평균 분자량: 130.2 g/mol
단동위원소 질량: 129.99109219

개요

2-Methyl-3-thiophenethiol is a metabolite found in or produced by Saccharomyces cerevisiae.

이름 및 식별자

우선 이름: 3-Mercapto-2-methylthiophene
IUPAC: 2-methylthiophene-3-thiol
영어명: 2-methylthiophene-3-thiol
분자식: C5H6S2
분자량: 130.23

이름 및 동의어

2-Methylthiophene-3-thiol2527-76-62-methyl-3-thiophenethiol3-Thiophenethiol, 2-methyl-2-Methyl-3-mercaptothiophene3-Mercapto-2-methylthiophene2-methyl-3-thienylthiolEINECS 219-770-66UN26XGT78DTXSID80179920RefChem:502924DTXCID40102411

이름 더 보기

methyl thiophene thiolmethyl-thiophenethiol,2-methyl-3-thiophenethiol

219-770-62-methyl-3-thiophenthiolThiophen-3-thiol, 2-methylMFCD12911611UNII-6UN26XGT782-Methylthiophen-3-thiol2-Methyl-thiopene-3-thiol3-Thiophenthiol, 2-methyl

데이터베이스 식별자

CAS: 2527-76-6
PubChem CID: 75664
DTXSID: DTXSID80179920
UNII: 6UN26XGT78
EC Number: 219-770-6
Nikkaji: J192.014F

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 29.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 63.1

실험 및 물리화학적 성질

Flavoring AgentsEU Flavoring substances

Solubilityslightly

Boiling Point186.00 to 187.00 °C. @ 760.00 mm Hg

Melting Point27.00 °C. @ 760.00 mm Hg

물리화학적 성질

끓는 점: 189 ℃ · 189℃
밀도: 1.208 · 1.208
인화점: 68 ℃ · 68℃
산도 계수 (pKa): 6.57 · 6.57±0.48(Predicted)
냄새: 0.01 · 0.01?%?in?프로필렌 글리콜에서. 약용
LogP: 2.394 · 2.394 (est)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.

Not Classified

Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 3-Thiophenethiol, 2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

3-Thiophenethiol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

공급사24 곳

苏州启航生物科技有限公司18151111370 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

연결된 노트

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