1-(2-Pyridyl)-2-thiourea

HCID 1490491

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14294-11-2
표준 SMILES: NC(=S)Nc1ccccn1
InChIKey: SLUHLANJIVXTRQ-UHFFFAOYSA-N
분자식: C6H7N3S
평균 분자량: 153.21 g/mol
단동위원소 질량: 153.03606822

이름 및 식별자

우선 이름: 1-(2-Pyridyl)-2-thiourea
IUPAC: pyridin-2-ylthiourea
영어명: 2-PYRIDYLTHIOUREA
분자식: C6H7N3S
분자량: 153.2

이름 및 동의어

1-(2-Pyridyl)-2-thioureaRefChem:422649673-673-71-(Pyridin-2-yl)thiourea14294-11-22-pyridylthioureapyridin-2-ylthioureaN-2-pyridinyl-Thiourea(pyridin-2-yl)thiourea(2-Pyridyl)thioureaMFCD00041227N-(2-Pyridyl)thiourea

이름 더 보기

1-PYRIDIN-2-YLTHIOUREAAKOS BBS-00007311N-PYRIDIN-2-YLTHIOUREAThiourea,N-2-pyridinyl-N-(2-Pyridyl)thiourea, 98%1-(Pyridin-2-yl)thiourea 98%

amino(2-pyridylamino)methane-1-thionepyridin-2-yl-thiourea2-pyridyl thioureaNSC176341N-pyridin-2-yl-thiourea3-(2-pyridyl)isothioureaN-(Pyridin-2-yl)thioureaSCHEMBL525427

데이터베이스 식별자

CAS: 14294-11-2
PubChem CID: 1490491
DTXSID: DTXSID40363424
EC Number: 673-673-7
Nikkaji: J1.211.614D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 83 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 126

물리화학적 성질

녹는점: 148 · 148-150°C
끓는 점: 298.7 · 298.7±32.0 °C(Predicted)
밀도: 1.382 · 1.382±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 12 · 12.00±0.70(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 117849 · 117849
InChI: InChI=1S/C6H7N3S/c7-6(10)9-5-3-1-2-4-8-5/h1-4H,(H3,7,8,9,10)
InChIKey: SLUHLANJIVXTRQ-UHFFFAOYSA-N
SMILES: N(C1=NC=CC=C1)C(N)=S

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (14.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (14.6%)

안전 데이터

ridadr: 2811
HS 번호: 2933399990
risk_code: 36/37/38
safety_code: 26-36/37/39
포장분류: III
위험 등급: 6.1

화학 및 산업

응용 분야 · 1건

용도2-Pyridylthiourea is an intermediate used to prepare disubstituted thiazoles as potential antibacterial and antiinflammatory agents via condensation of phenacyl bromide with thioureas and thiosemicarbazones. It is also used in the synthesis of 2-amino-5-(thioaryl)thiazoles as potent and selective Itk inhibitors.