4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
기본 정보
- CAS
1630031-21-8- 표준 SMILES
CN(C)c1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)cc1- InChIKey
QTSVQZUWSPRAQN-LDADJPATSA-N- 분자식
- C17H17N5S
- 평균 분자량
- 323.4 g/mol
이름 및 식별자
- 우선 이름
- 4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
- 영어명
- 4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
- 분자식
- C17H17N5S
- 분자량
- 323.42
이름 및 동의어
1630031-21-84-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thioneCHEMBL2016648STK105684STL047133AKOS000361376AKOS005700559AA-504/34235044(E)-4-((4-(dimethylamino)benzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol4-{[4-(dimethylamino)benzylidene]amino}-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
이름 더 보기
4-((4-(DIMETHYLAMINO)BENZYLIDENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL3H-1,2,4-Triazole-3-thione, 4-[(E)-[[4-(dimethylamino)phenyl]methylene]amino]-2,4-dihydro-5-phenyl-
4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
데이터베이스 식별자
- CAS
1630031-21-8- ChEMBL
CHEMBL2016648- Nikkaji
- J1.482.207K
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 75.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 473
물리화학적 성질
- 끓는 점
- 462.496 · 462.496±47.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.228 · 1.228±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 9.018 · 9.018±0.20(predicted)
관련 반응
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