3,5-Dimethylbenzenethiol

HCID 117548CAS 25550-52-1

기본 정보

표준 SMILES: Cc1cc(C)cc(S)c1
InChIKey: CESBAYSBPMVAEI-UHFFFAOYSA-N
분자식: C8H10S
평균 분자량: 138.23 g/mol
단동위원소 질량: 138.05032132

이름 및 식별자

우선 이름: 3,5-Dimethylbenzenethiol
IUPAC: 3,5-dimethylbenzenethiol
영어명: 2,4-DIMETHYLTHIOPHENOL
분자식: C8H10S
분자량: 138.23

이름 및 동의어

38360-81-53,5-DimethylbenzenethiolBenzenethiol, 3,5-dimethyl-3,5-XylenethiolU18S77737QDTXSID3068093RefChem:1065936DTXCID5039482253-901-83,5-Dimethylthiophenol3,5-dimethylbenzene-1-thiolMFCD00040226

이름 더 보기

XylenethiolTHIOXYLENOLThioxylenol M-XYLENE-4-THIOLDimethylthiophenol4-MERCAPTO-M-XYLENEDimethylbenzenethioldimethyl-benzenethioPARA-XYLENE-ALPHA-THIOLxylenethiol, mixed isomers

m-Xylene-5-thiol5-Mercapto-m-xyleneUNII-U18S77737QEINECS 253-901-83,5dimethylthiophenol3,5-Dimethylbenzenethio3,5-dimethyl-thiophenolUNII-FF8DL45MWR

데이터베이스 식별자

CAS: 25550-52-1、38360-81-5
PubChem CID: 117548
DTXSID: DTXSID3068093
UNII: U18S77737Q
EC Number: 253-901-8
Nikkaji: J155.605C

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 80.6

물리화학적 성질

끓는 점: 207 · 207-208 °C(lit.)
밀도: 1.022 g/mL · 1.022 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.569(lit.)
인화점: 137 °F · 137 °F
EPA: Benzenethiol, dimethyl- (25550-52-1)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H302 (95.9%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.