7-(chloromethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

HCID 4354134

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 100003-81-4
표준 SMILES: Cc1csc2nc(CCl)cc(=O)n12
InChIKey: CTOHNLKENNHCNA-UHFFFAOYSA-N
분자식: C8H7ClN2OS
평균 분자량: 214.67 g/mol
단동위원소 질량: 213.99676152

이름 및 식별자

우선 이름: 7-(chloromethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
IUPAC: 7-(chloromethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
영어명: 7-(Chloromethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
분자식: C8H7ClN2OS
분자량: 214.67

이름 및 동의어

7-(chloromethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one100003-81-4DTXSID404022817-(chloromethyl)-3-methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one7-(chloromethyl)-3-methyl-5H-(1,3]thiazolo[3,2-a]pyrimidin-5-oneRefChem:310159DTXCID70353136874-337-47-(chloromethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-oneMFCD066550257-(chloromethyl)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one7-(Chloromethyl)-3-methyl-5H-[1,3]thiazolo-[3,2-a]pyrimidin-5-one

이름 더 보기

IVK/0002950ZINC038875155H-Thiazolo[3,2-a]pyrimidin-5-one, 7-(chloromethyl)-3-methyl-

SCHEMBL636234CTOHNLKENNHCNA-UHFFFAOYSA-NALBB-002339BBL013689STK409067AKOS000118674SY131954VS-03940

데이터베이스 식별자

CAS: 100003-81-4
PubChem CID: 4354134
DTXSID: DTXSID40402281
EC Number: 874-337-4

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 58 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 359

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.