피리미딘-1-티올

2-Mercaptopyrimidine

HCID 1550489

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1450-85-7
표준 SMILES: S=c1nccc[nH]1
InChIKey: HBCQSNAFLVXVAY-UHFFFAOYSA-N
분자식: C4H4N2S
평균 분자량: 112.16 g/mol
단동위원소 질량: 112.00951931

이름 및 식별자

우선 이름: 2-Mercaptopyrimidine
IUPAC: 1H-pyrimidine-2-thione
현지명: 피리미딘-1-티올
영어명: pyrimidine-1-thiol
분자식: C4H6N2S
분자량: 114.16884

이름 및 동의어

2-Mercaptopyrimidine1450-85-7Pyrimidine-2-thiol2-ThiopyrimidineDTXSID6049220CHEBI:53576NSC-48073NSC-193522T72Z5M7P5TDTXCID80290762-mercapto pyrimidineRefChem:870945

이름 더 보기

피리미딘-1-티올pyrimidine-1-thiol

215-917-32-PyrimidinethiolPyrimidine-2(1H)-thione2(1H)-Pyrimidinethione131242-36-91H-pyrimidine-2-thionePyrimidinethione2-Pyrimidinethione

데이터베이스 식별자

CAS: 1450-85-7、53745-18-9
PubChem CID: 1550489
DTXSID: DTXSID6049220
ChEMBL: CHEMBL1688952
ChEBI: CHEBI:53576
UNII: T72Z5M7P5T
EC Number: 215-917-3、258-741-2
Nikkaji: J208.747B

물성

구조 계산 물성

XLogP: -1.1
극성 표면적: 56.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 137

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.