3-(메틸티오)-5-클로로-1,2,4-티아디아졸

5-Chloro-3-(methylsulfanyl)-1,2,4-thiadiazole

HCID 570953

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 21735-15-9
표준 SMILES: CSc1nsc(Cl)n1
InChIKey: IFRYKIFAMMXTOF-UHFFFAOYSA-N
분자식: C3H3ClN2S2
평균 분자량: 166.7 g/mol
단동위원소 질량: 165.94261778

이름 및 식별자

우선 이름: 5-Chloro-3-(methylsulfanyl)-1,2,4-thiadiazole
IUPAC: 5-chloro-3-methylsulfanyl-1,2,4-thiadiazole
현지명: 3-(메틸티오)-5-클로로-1,2,4-티아디아졸
영어명: 3-(Methylthio)-5-chloro-1,2,4-thiadiazole
분자식: C3H3ClN2S2
분자량: 166.65

이름 및 동의어

5-chloro-3-(methylsulfanyl)-1,2,4-thiadiazoleRefChem:534680858-466-321735-15-95-chloro-3-(methylthio)-1,2,4-thiadiazole1,2,4-Thiadiazole, 5-chloro-3-(methylthio)-5-chloro-3-methylsulfanyl-1,2,4-thiadiazoleMFCD077794333-(Methylthio)-5-chloro-1,2,4-thiadiazole5-chloro-3-methylthio-1,2,4-thiadiazole5-Chloro-3-methylmercapto-1,2,4-thiadiazoleSCHEMBL3161944

이름 더 보기

3-(메틸티오)-5-클로로-1,2,4-티아디아졸

DTXSID50341197WAA73515GEO-02726AKOS006286381DA-20374SY1434223-methylthio-5-chloro-1,2,4-thiadiazoleEN300-108319

데이터베이스 식별자

CAS: 21735-15-9
PubChem CID: 570953
DTXSID: DTXSID50341197
EC Number: 858-466-3
Nikkaji: J100.278C

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 79.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 81.7

물리화학적 성질

녹는점: 30 °C · 30 °C
끓는 점: 98 °C · 98 °C(Press: 17 Torr)
밀도: 1.55 · 1.55±0.1 g/cm3(Predicted)
산도 계수 (pKa): -1.34 · -1.34±0.10(Predicted)

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 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.