3-Chloro-5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene

AKOS 92583 · IFLAB-BB F0307-0219 · 4-Chloro-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine · 4-CHLORO-2-METHYL-5,6,7,8-TETRAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE · [1]BENZOTHIENO[2,3-D]PYRIMIDINE, 4-CHLORO-5,6,7,8-TETRAHYDRO-2-METHYL- · 4-Chloro-2-Methyl-5,6,7,8-tetrahydrobenzo[b]thieno[2,3-d]pyriMidine, 96%

https://huagongshe.com/ko/chemical/290237

3-Chloro-5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene 분자 구조식

식별자 및 물리적 특성

CAS No.	81765-97-1
분자식	C11H11ClN2S
평균 분자량	238.74 g/mol
단동위원소 질량	238.0331472 g/mol
SMILES	Cc1nc(Cl)c2c3c(sc2n1)CCCC3
InChIKey	VBBUCJFANWYVMU-UHFFFAOYSA-N
PubChem CID	290237
EC No.	838-305-3
DTXSID	DTXSID901002193

화학 및 물리적 성질

XLogP	4.1
극성 표면적	54
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	15
형식 전하	0
복잡도	251
녹는점	94 °C
밀도	1.367±0.06 g/cm3(Predicted)
저장 조건	under inert gas (nitrogen or Argon) at 2-8°C
pKa(산도 계수)	1.27±0.20(Predicted)

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
관세 코드	2934999090

용도

4-chloro-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is a useful reactant for the synthesis of thieno[2,3-d]pyrimidines and furo[2,3-d]pyrimidines derivatives, for the use as c-Met inhibitiors as a potential antitumor agents.