2-(메틸티오)-2-티아졸린

4,5-Dihydro-2-(methylthio)thiazole

HCID 88324CAS 19975-56-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CSC1=NCCS1
InChIKey: QFGRBBWYHIYNIB-UHFFFAOYSA-N
분자식: C4H7NS2
평균 분자량: 133.2 g/mol
단동위원소 질량: 133.00199122

이름 및 식별자

우선 이름: 4,5-Dihydro-2-(methylthio)thiazole
IUPAC: 2-methylsulfanyl-4,5-dihydro-1,3-thiazole
현지명: 2-(메틸티오)-2-티아졸린
영어명: 2-(Methylthio)-2-thiazoline
분자식: C4H7NS2
분자량: 133.24

이름 및 동의어

19975-56-54,5-Dihydro-2-(methylthio)thiazoleDTXSID50173773EINECS 243-447-9NSC 196203RefChem:507737DTXCID1096264243-447-92-(Methylthio)-2-thiazoline2-(Methylthio)-4,5-dihydrothiazole2-Methylthio-2-thiazoline2-(Methylthio)thiazoline

이름 더 보기

2-(메틸티오)-2-티아졸린2-Thiazoline, 2-(methylthio)-2-(Methylthio)-2-thiazoline>2-(METHYLMERCAPTO)-2-THIAZOLINE2-(Methylsulfanyl)-1,3-thiazole2-(Methylthio)-2-thiazoline 97%2-(METHYLTHIO)-2-THIAZOLINE 99+%

Thiazole, 4,5-dihydro-2-(methylthio)-2-methylsulfanyl-4,5-dihydro-1,3-thiazoleMFCD000053122-(Methylsulfanyl)-4,5-dihydro-1,3-thiazole2-methylthiothiazoline2-(Methylmercapto)-2-thiazoline2-(methylthio)-1,3-thiazoline4,5-dihydro-2-methylthiothiazole

데이터베이스 식별자

CAS: 19975-56-5
PubChem CID: 88324
DTXSID: DTXSID50173773
UNII: H7RAG4X25D
EC Number: 243-447-9
Nikkaji: J82.916A

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 63 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 89.7

물리화학적 성질

끓는 점: 216 · 216-217 °C (lit.)
밀도: 1.226 g/mL · 1.226 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.592(lit.)
인화점: 208 °F · 208 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 4.74 · 4.74±0.10(Predicted)
색상: 무색~연황색
BRN: 106353 · 106353
InChI: 1S/C4H7NS2/c1-6-4-5-2-3-7-4/h2-3H2,1H3
InChIKey: QFGRBBWYHIYNIB-UHFFFAOYSA-N
SMILES: CSC1=NCCS1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

wgk: 3
ridadr: UN 3334
HS 번호: 29341000
safety_code: 23-24/25
F 고인화성물질: 8-9-13
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2-(Methylthio)-2-thiazoline has been used in the preparation of:novel tri- and tetracyclic hetero systems, via reaction with heteroaromatic 2-aminoesters2-(2-chlorobenzylamino)-2-thiazoline