기본 정보
- CAS
80228-93-9- 표준 SMILES
CN=C1SC(=NC(F)(F)F)C(=NC(F)(F)F)N1c1ccc(Cl)cc1- InChIKey
HBLSGPQATABNRY-UHFFFAOYSA-N- 분자식
- C12H7ClF6N4S
- 평균 분자량
- 388.72 g/mol
- 단동위원소 질량
- 387.9984141
이름 및 식별자
- 우선 이름
- Thiadifluor
- IUPAC
- 3-(4-chlorophenyl)-2-N-methyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine
- 현지명
- N,N'-[3-(4-클로로페닐)-2-(메틸이미노)-4,5-티아졸리딘디일리덴]비스[트리플루오로메틸아민]
- 영어명
- N,N'-[3-(4-chlorophenyl)-2-(methylimino)-4,5-thiazolidinediylidene]bis[trifluoromethylamine]
- 분자식
- C12H7ClF6N4S
- 분자량
- 388.72
이름 및 동의어
ThiadifluorThiadifluor [ISO]80228-93-9UNII-36NI446PIZ36NI446PIZEINECS 279-430-8METHANAMINE, N,N'-(3-(4-CHLOROPHENYL)-2-(METHYLIMINO)-4,5-THIAZOLIDINEDIYLIDENE)BIS(1,1,1-TRIFLUORO-RefChem:189238279-430-83-(4-chlorophenyl)-2-N-methyl-4-N,5-N-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimineN,N'-(3-(4-Chlorophenyl)-2-(methylimino)-4,5-thiazolidinediylidene)bis(trifluoromethylamine)SCHEMBL163479
이름 더 보기
N,N'-[3-(4-클로로페닐)-2-(메틸이미노)-4,5-티아졸리딘디일리덴]비스[트리플루오로메틸아민]3-(4-chloro-phenyl)-N2-methyl-N4,N5-bis-trifluoromethyl-thiazolidinetriylidenetriamineN,N'-[3-(4-chlorophenyl)-2-(methylimino)-4,5-thiazolidinediylidene]bis[trifluoromethylamine]N,N'-[3-(4-Chlorophenyl)-2-(methylimino)-4,5-thiazolidinediylidene]bis(α,α,α-trifluoromethanamine)Methanamine, N,N'-[3-(4-chlorophenyl)-2-(methylimino)-4,5-thiazolidinediylidene]bis[1,1,1-trifluoro-
SCHEMBL29456851DTXSID701001113NS00060713Q272565853-(4-Chlorophenyl)-N2-methyl-N4,N5-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine3-(4-Chlorophenyl)-N~2~-methyl-N~4~,N~5~-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 65.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 563
물리화학적 성질
- 끓는 점
- 259.7 · 259.7±50.0 °C(Predicted)
- 밀도
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -7.61 · -7.61±0.20(Predicted)
관련 반응
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