CAS 117829-34-2 2H-Imidazo(2,1-b)(1,3,4)thiadiazin-6(7H)-one, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-, hydrobromide (HCID 3088386)

기본 정보

CAS: 117829-34-2
표준 SMILES: Br.CC(C)(C)c1cc(C2=NN3C(=O)CN=C3SC2)cc(C(C)(C)C)c1O
InChIKey: IDIMSSNAYBYOLY-UHFFFAOYSA-N
분자식: C19H26BrN3O2S
평균 분자량: 440.4 g/mol
단동위원소 질량: 439.09291

이름 및 식별자

우선 이름: 2H-Imidazo(2,1-b)(1,3,4)thiadiazin-6(7H)-one, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-, hydrobromide
IUPAC: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,7-dihydroimidazo[2,1-b][1,3,4]thiadiazin-6-one;hydrobromide

이름 및 동의어

3-(3,5-Di-t-butyl-4-hydroxyphenyl)-6-oxo-6,7-dihydro-2H-imidazo(2,1-b)(1,3,4)thiadiazine HBr117829-34-22H-Imidazo(2,1-b)(1,3,4)thiadiazin-6(7H)-one, 3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-, hydrobromideRefChem:268622SCHEMBL9675330DTXSID90922560IDIMSSNAYBYOLY-UHFFFAOYSA-N3-(3,5-Di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-2H-imidazo[2,1-b][1,3,4]thiadiazin-6(7H)-one--hydrogen bromide (1/1)3-(3,5-Di-tert.butyl-4-hydroxyphenyl)-6-oxo-6,7-dihydro-2H-imidazo[2,1-b][1,3,4]thiadiazine hydrobromide

데이터베이스 식별자

CAS: 117829-34-2
PubChem CID: 3088386

물성

구조 계산 물성

극성 표면적: 90.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 26
형식 전하: 0
복잡도: 591

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