3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile

HCID 2819539

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 151291-05-3
표준 SMILES: CSc1c(C#N)c(N)nn1C
InChIKey: BIQAGSSFDBPDNT-UHFFFAOYSA-N
분자식: C6H8N4S
평균 분자량: 168.22 g/mol
단동위원소 질량: 168.04696726

이름 및 식별자

우선 이름: 3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrile
IUPAC: 3-amino-1-methyl-5-methylsulfanylpyrazole-4-carbonitrile
영어명: 3-Amino-1-methyl-5-(methylthio)-1H-pyrazole-4-carbonitrile
분자식: C6H8N4S
분자량: 168.22

이름 및 동의어

3-Amino-1-methyl-5-methylsulfanyl-1H-pyrazole-4-carbonitrileRefChem:496836801-073-9151291-05-33-amino-1-methyl-5-(methylthio)-1H-pyrazole-4-carbonitrile1-Methyl-3-amino-4-cyano-5-methylsulfanylpyrazole3-amino-1-methyl-5-methylsulfanylpyrazole-4-carbonitrileMFCD020897531H-Pyrazole-4-carbonitrile, 3-amino-1-methyl-5-(methylthio)-Maybridge3_003516SCHEMBL7922166DTXSID30384820

이름 더 보기

4-CYANO-5-METHYLSULFANYLPYRAZOLE3-amino-1-methyl-5-(methylthio)-pyrazole-4-carbonitrile1-Methyl-3-Amino-4-Cyano-5-Methylsulfanylpyrazole(WXC00844)1H-Pyrazole-4-carbonitrile,3-amino-1-methyl-5-(methylthio)-

BIQAGSSFDBPDNT-UHFFFAOYSA-NHMS1440P18CCG-520023-AMINO-1-METHYL-5-(METHYLSULFANYL)-1H-PYRAZOLE-4-CARBONITRILEAKOS006278517AB10682IDI1_014903AS-31781

데이터베이스 식별자

CAS: 151291-05-3
PubChem CID: 2819539
DTXSID: DTXSID30384820
EC Number: 801-073-9

물성

구조 계산 물성

XLogP: 1
극성 표면적: 92.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 186

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.