FMOC이소티오시아네이트

Fmoc isothiocyanate

HCID 4154759CAS 199915-38-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(N=C=S)OCC1c2ccccc2-c2ccccc21
InChIKey: DHMYULZVFHHEHE-UHFFFAOYSA-N
분자식: C16H11NO2S
평균 분자량: 281.3 g/mol
단동위원소 질량: 281.05104959

개요

See also: 9H-Fluoren-9-ylmethoxycarbonylisothiocyanat (annotation moved to).

이름 및 식별자

우선 이름: Fmoc isothiocyanate
IUPAC: 9H-fluoren-9-ylmethyl N-(sulfanylidenemethylidene)carbamate
현지명: FMOC이소티오시아네이트
영어명: Fmoc isothiocyanate
분자식: C16H11NO2S
분자량: 281.33

이름 및 동의어

Fmoc isothiocyanate199915-38-3Fmoc-isothiocyanate9H-fluoren-9-ylmethyl N-(sulfanylidenemethylidene)carbamateMFCD018611699-Fluorenylmethoxycarbonyl isothiocyanateSCHEMBL248995DTXSID10400012(9H-FLUOREN-9-YL)METHYL N-CARBOTHIOYLCARBAMATE9-fluorenylmethoxycarbonylisothiocyanateAKOS022177710Carbon(isothiocyanatidic) acid, 9H-fluoren-9-ylmethyl ester

이름 더 보기

FMOC이소티오시아네이트Fmoc-isothiocyanate≥ 95% (NMR)Fmoc isothiocyanate >=98.0% (CHN)9H-Fluoren-9-ylmethoxycarbonyl isothiocyanateCarbon(isothiocyanatidic) acid 9H-fluoren-9-ylmethyl ester9-Fluorenylmethoxycarbonyl isothiocyanate, 9-Fluorenylmethyl isothiocyanatoformate

9H-fluorene-9-ylmethyloxycarbonylisothiocyanateO-(9H-fluoren-9-yl)methyl carbonisothiocyanatidateO-((9H-fluoren-9-yl)methyl) carbonisothiocyanatidateN-fmoc-isothiocyanate9-Fluorenylmethoxycarbonyl isothFF38870Fmoc isothiocyanate, >=98.0% (CHN)BS-21941

데이터베이스 식별자

CAS: 199915-38-3
PubChem CID: 4154759
DTXSID: DTXSID10400012
Nikkaji: J1.287.301H

물성

구조 계산 물성

XLogP: 5.1
극성 표면적: 70.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 397

물리화학적 성질

녹는점: 42 · 42-46 °C
끓는 점: 433.1 · 433.1±14.0 °C(Predicted)
밀도: 1.26 · 1.26
저장 조건: -20 °C · -20°C
용해도: 에탄올: 가용성
물리적 상태: 액체
색상: 투명한 노란색에서 갈색까지
BRN: 7930648 · 7930648
주요 응용: 펩타이드 합성
InChI: 1S/C16H11NO2S/c18-16(17-10-20)19-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9H2
InChIKey: DHMYULZVFHHEHE-UHFFFAOYSA-N
SMILES: O=C(OCC1c2ccccc2-c3ccccc13)N=C=S

화학적 성질

Light yellow solid

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2930909899
risk_code: 37/38-41
hazard_code: Xi
safety_code: 36/39
F 고인화성물질: 10
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Fmoc isothiocyanate can be used:As a starting material in the preparation of biologically relevant pharmacophores named N-aryl-N′-carboalkoxy guanidines.In one of the intermediate steps for the synthesis of N-aryl-N-thiazolyl derivatives.To synthesize cyclic isothiourea derivatives as potent neuropeptide Y (NPY) Y1receptor antagonists.To prepare 2-aminothiazoles, aminobenz-imidazole conjugated thiazoles, and thiazole derived cyclopeptides.