3-{4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}pyridine

HCID 2427243CAS 742094-64-0

기본 정보

표준 SMILES: Cc1sc2nc(-c3cccnc3)nc(Cl)c2c1C
InChIKey: OKMOUSJGXYXWHP-UHFFFAOYSA-N
분자식: C13H10ClN3S
평균 분자량: 275.76 g/mol

이름 및 식별자

우선 이름: 3-{4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}pyridine
IUPAC: 4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
영어명: Thieno[2,3-d]pyrimidine, 4-chloro-5,6-dimethyl-2-(3-pyridinyl)-
분자식: C13H10ClN3S
분자량: 275.76

이름 및 동의어

742094-64-03-{4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}pyridine4-Chloro-5,6-dimethyl-2-(pyridin-3-yl)thieno[2,3-d]pyrimidine4-chloro-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine3-(4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)pyridineMFCD05261216WAY-632021SCHEMBL5124093OKMOUSJGXYXWHP-UHFFFAOYSA-NSEB09464AKOS000116983AS-87918

이름 더 보기

Thieno[2,3-d]pyrimidine, 4-chloro-5,6-dimethyl-2-(3-pyridinyl)-

CS-0220737EN300-07416G56274AB00723012-01F643408SR-01000049999SR-01000049999-1Z55928792

데이터베이스 식별자

CAS: 742094-64-0
PubChem CID: 2427243
EC Number: 174-724-1

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 66.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 304

물리화학적 성질

밀도: 1.361 · 1.361±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.61 · 2.61±0.12(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, P317, P319, P321, P330, 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.