3-Methoxythioanisole

HCID 281182

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기본 정보

CAS: 2388-74-1
표준 SMILES: COc1cccc(SC)c1
InChIKey: IWVQVOXDIOKVBE-UHFFFAOYSA-N
분자식: C8H10OS
평균 분자량: 154.23 g/mol
단동위원소 질량: 154.04523594

이름 및 식별자

우선 이름: 3-Methoxythioanisole
IUPAC: 1-methoxy-3-methylsulfanylbenzene
영어명: 3-Methoxy thioanisole
분자식: C8H10OS
분자량: 154.23

이름 및 동의어

3-Methoxythioanisole2388-74-1DTXSID60299933RefChem:503310DTXCID30251068673-603-5Anisole, m-(methylthio)-Benzene, 1-methoxy-3-(methylthio)-1-methoxy-3-methylsulfanylbenzene1-methoxy-3-methylsulfanyl-benzene1-Methoxy-3-(methylsulfanyl)benzeneMFCD03789162

이름 더 보기

3-METHOXY THIOANISOL3-Methoxythioanisole>3-METHOXY THIOANISOLE 99%MIN1-Methylthio-3-methoxybenzeneMethyl 3-methoxyphenyl sulfide1-Methoxy-3-(methylthio)benzene1-(Methylthio)-3-methoxybenzene3-methoxythiobenzenemethylether

3-methoxy thioanisole1-Methoxy-3-methylthiobenzene(3-methoxyphenyl)(methyl)sulfaneNSC133794NSC-133794SCHEMBL11455313-Methoxythiophenol, S-methyl-1-methylsulfanyl-3-methoxybenzene

데이터베이스 식별자

CAS: 2388-74-1
PubChem CID: 281182
DTXSID: DTXSID60299933
UNII: 42GZ952C3G
EC Number: 673-603-5
Nikkaji: J100.176K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 34.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

물리화학적 성질

끓는 점: 127 °C · 127 °C / 18mmHg
밀도: 1.12 · 1.12
굴절률: 1.582 to · 1.5820 to 1.5860
저장 조건: 2 · 2-8°C, stored under nitrogen
NIST: 1 · Benzene, 1-methoxy-3-(methylthio)-(2388-74-1)

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