5-[[5-[5-[5-[4,8-Bis[5-(2-ethylhexyl)-4-hexylthiophen-2-yl]-2-[4-hexyl-5-[4-hexyl-5-[5-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
기본 정보
- CAS
2041283-06-9- 표준 SMILES
CCCCCCc1cc(-c2c3cc(-c4cc(CCCCCC)c(-c5cc(CCCCCC)c(-c6ccc(C=C7SC(=S)N(CCCCCC)C7=O)s6)s5)s4)sc3c(-c3cc(CCCCCC)c(CC(CC)CCCC)s3)c3cc(-c4cc(CCCCCC)c(-c5cc(CCCCCC)c(-c6ccc(C=C7SC(=S)N(CCCCCC)C7=O)s6)s5)s4)sc23)sc1CC(CC)CCCC- InChIKey
HWLMQHDOZLNQAF-UHFFFAOYSA-N- 분자식
- C114H152N2O2S14
- 평균 분자량
- 2,031.4 g/mol
- 단동위원소 질량
- 2,028.7943785
이름 및 식별자
- 우선 이름
- 5-[[5-[5-[5-[4,8-Bis[5-(2-ethylhexyl)-4-hexylthiophen-2-yl]-2-[4-hexyl-5-[4-hexyl-5-[5-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 5-[[5-[5-[5-[4,8-bis[5-(2-ethylhexyl)-4-hexylthiophen-2-yl]-2-[4-hexyl-5-[4-hexyl-5-[5-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thieno[2,3-f][1]benzothiol-6-yl]-3-hexylthiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]methylidene]-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
- 영어명
- BTR
- 분자식
- C114H152N2O2S14
- 분자량
- 2031.37
이름 및 동의어
2041283-06-94-Thiazolidinone, 5,5'-[[4,8-bis[5-(2-ethylhexyl)-4-hexyl-2-thienyl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis[(3',3''-dihexyl[2,2':5',2''-terthiophene]-5'',5-diyl)methylidyne]]bis[3-hexyl-2-thioxo-(5Z,5'Z)-5,5'-(((4,8-bis(5-(2-ethylhexyl)-4-hexylthiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(3',3''-dihexyl-[2,2':5',2''-terthiophene]-5'',5-diyl))bis(methanylylidene))bis(3-hexyl-2-thioxothiazolidin-4-one)
데이터베이스 식별자
- CAS
2041283-06-9- PubChem CID
- 155891122
물성
구조 계산 물성
- XLogP
- 47.1
- 극성 표면적
- 438 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 62
- 무거운 원자 수
- 132
- 형식 전하
- 0
- 복잡도
- 3,200
물리화학적 성질
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 용해도
- 에 용해됨클로로포름, 클로로벤젠
- 녹는점
- 405 °C · TGA: 405 °C (0.5% weight loss), 175°C (Tg)
화학 및 산업
응용 분야
개요BTR has a backbone consisting of a benzodithiophene (BDT) unit in conjugation with two terthiophenes and two rhodanine periphera end groups forming a coplanar structure. In combination with the additional hexyl group on the thienyl-BDT unit, the side chains provide BTR with strong intermolecular interactions showing nematic liquid crystal behaviour.
공급사7 곳
郑州德元凯化工有限公司17837139533 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
南京知研科技有限公司15365097539 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
西安科展生物科技有限公司18729005399 · [email protected]
北京奥格泰克科技有限公司010-89719903 18511074324;18511074324 · [email protected]
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