기본 정보
- CAS
16854-32-3- 표준 SMILES
CSc1ccc(C(O)C(N)CO)cc1- InChIKey
IULJJGJXIGQINK-UHFFFAOYSA-N- 분자식
- C10H15NO2S
- 평균 분자량
- 213.3 g/mol
- 단동위원소 질량
- 213.08234989
이름 및 식별자
- 우선 이름
- [S(R*,R*)]-2-amino-1-[p-(methylthio)phenyl]propane-1,3-diol
- IUPAC
- 2-amino-1-(4-methylsulfanylphenyl)propane-1,3-diol
- 영어명
- (1S,2S)-(+)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol
- 분자식
- C10H15NO2S
- 분자량
- 213.3
이름 및 동의어
EINECS 240-878-4(S(R*,R*))-2-Amino-1-(p-(methylthio)phenyl)propane-1,3-diol[S(R*,R*)]-2-Amino-1-[p-(methylthio)phenyl]propane-1,3-diolRefChem:210965240-878-416854-32-32-amino-1-[4-(methylsulfanyl)phenyl]propane-1,3-diol2-amino-1-(4-methylsulfanylphenyl)propane-1,3-diol(1S2S)-(+)-2-AMINO-1-[4-(METHYLTHIO)PHENYL]-13-PROPANEDIOLSCHEMBL607041DTXSID80937502IULJJGJXIGQINK-UHFFFAOYSA-N
이름 더 보기
(1S,2S)-(+)-THIOMICAMINEthiomicamineL-THIOMICAMINE(1S,2S)-(+)-Thiomicamine 99%(1S,2S)-(+)-Thiomicamine2-Amino-1-(4-methylthliophenyl)-1,3-propanediol2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol(1S,2S)-2-aMino-1-(4-(Methylthio)phenyl)propane-1,3-diol(1S,2S)-1-[4-(Methylthio)phenyl]-2-aminopropane-1,3-diol
STR04927MFCD04220957AKOS009156440SB78720AC-20091NS00030065NS00084813NS00084898
데이터베이스 식별자
- CAS
16854-32-3、23150-35-8- PubChem CID
- 86075
- DTXSID
DTXSID80937502- EC Number
- 240-878-4
- Nikkaji
- J28.504H
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 91.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 160
물리화학적 성질
- 녹는점
- 151 · 151-154 °C(lit.)
- 끓는 점
- 428.2 · 428.2±45.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 산도 계수 (pKa)
- 11.75 · 11.75±0.45(Predicted)
- InChI
- 1S/C10H15NO2S/c1-14-8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3/t9-,10-/m0/s1
- InChIKey
- IULJJGJXIGQINK-UWVGGRQHSA-N
- SMILES
- CSc1ccc(cc1)[C@H](O)[C@@H](N)CO
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
안전 데이터
- wgk
- 3
- HS 번호
- 2930909899
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(1S,2S)-(+)-Thiomicamine can be used:As a starting material in the synthesis of 3,4-dihydroisoquinolinium salts, which are employed as promoters in asymmetric epoxidation and oxidationreactions.As a starting material in the synthesis of an α-amino acid named (3R,4R)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, which is used to prepare modified peptides of biological importance.As a chiral base in the resolution of an angiotensin II type 2 receptor [AT2R] antagonist named EMA401.
공급사16 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
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