6-(2-chloroethyl)-7-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one

HCID 817872CAS 86488-00-8

기본 정보

표준 SMILES: Cc1nc2sccn2c(=O)c1CCCl
InChIKey: SVZSNASRUSJMAF-UHFFFAOYSA-N
분자식: C9H9ClN2OS
평균 분자량: 228.7 g/mol
단동위원소 질량: 228.01241159

이름 및 식별자

우선 이름: 6-(2-chloroethyl)-7-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
IUPAC: 6-(2-chloroethyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

이름 및 동의어

6-(2-chloroethyl)-7-methyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one6-(2-chloroethyl)-7-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-oneRefChem:539191853-349-386488-00-86-(2-chloroethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-oneMFCD020938035H-Thiazolo[3,2-a]pyrimidin-5-one, 6-(2-chloroethyl)-7-methyl-6-(2-chloroethyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-oneSCHEMBL4497496DTXSID80355868SVZSNASRUSJMAF-UHFFFAOYSA-N

이름 더 보기

LDA48800NCGC00660406-01BS-41673SY173137DB-382861CS-0061204EN300-199680F466698

데이터베이스 식별자

CAS: 86488-00-8
PubChem CID: 817872
DTXSID: DTXSID80355868
EC Number: 853-349-3

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 58 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 373

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.