3-안티피리닐-1-(4-메톡시페닐)티오우레아
4-((((4-Methoxyphenyl)amino)thioxomethyl)amino)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
기본 정보
- CAS
74051-63-1- 표준 SMILES
COc1ccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1- InChIKey
LITBNHAVTPKJAD-UHFFFAOYSA-N- 분자식
- C19H20N4O2S
- 평균 분자량
- 368.5 g/mol
- 단동위원소 질량
- 368.13069707
이름 및 식별자
- 우선 이름
- 4-((((4-Methoxyphenyl)amino)thioxomethyl)amino)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
- IUPAC
- 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxyphenyl)thiourea
- 현지명
- 3-안티피리닐-1-(4-메톡시페닐)티오우레아
- 영어명
- 3-Antipyrinyl-1-(4-methoxyphenyl)thiourea
- 분자식
- C19H20N4O2S
- 분자량
- 368.45
이름 및 동의어
74051-63-13-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-methoxyphenyl)thiourea4-((((4-METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)-2,3-DIMETHYL-1-PHENYL-3-PYRAZOLIN-5-ONE1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-methoxyphenyl)thioureaNSC6933403-Antipyrinyl-1-(4-methoxyphenyl)thioureaUrea, 3-(4-antipyrinyl)-1-(p-methoxyphenyl)-2-thio-N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(4-methoxyphenyl)thiourea1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(4-methoxyphenyl)thioureaBRN 03431761-p-Methoxyphenyl-3-(4-antipyryl)-2-thiourea3-(4-Antipyrinyl)-1-(p-methoxyphenyl)-2-thiourea
이름 더 보기
3-안티피리닐-1-(4-메톡시페닐)티오우레아Thiourea, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-N'-(4-methoxyphenyl)-
MFCD00955362Oprea1_290380CHEMBL2006135DTXSID90224970AKOS001797944MS-7612NSC-693340NCI60_033446
데이터베이스 식별자
- CAS
74051-63-1- PubChem CID
- 3005349
- DTXSID
DTXSID90224970- ChEMBL
CHEMBL2006135- Nikkaji
- J127.566F、J516.061H
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 88.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 566
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