tert-부틸3-tert-부틸술피닐미노아제티딘-1-카르복실레이트

tert-Butyl 3-[(2-methylpropane-2-sulfinyl)imino]azetidine-1-carboxylate

HCID 56776988

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1291487-32-5
표준 SMILES: CC(C)(C)OC(=O)N1CC(=NS(=O)C(C)(C)C)C1
InChIKey: JOBIXWHPZPUSTM-UHFFFAOYSA-N
분자식: C12H22N2O3S
평균 분자량: 274.38 g/mol
단동위원소 질량: 274.13511356

이름 및 식별자

우선 이름: tert-Butyl 3-[(2-methylpropane-2-sulfinyl)imino]azetidine-1-carboxylate
IUPAC: tert-butyl 3-tert-butylsulfinyliminoazetidine-1-carboxylate
현지명: tert-부틸3-tert-부틸술피닐미노아제티딘-1-카르복실레이트
영어명: tert-Butyl 3-tert-butylsulfinyliMinoazetidine-1-carboxylate
분자식: C12H22N2O3S
분자량: 274.38

이름 및 동의어

tert-butyl 3-[(2-methylpropane-2-sulfinyl)imino]azetidine-1-carboxylateDTXSID00718471tert-butyl 3-((2-methylpropane-2-sulfinyl)imino)azetidine-1-carboxylateRefChem:893167DTXCID00669217984-927-41291487-32-5tert-Butyl 3-tert-butylsulfinyliminoazetidine-1-carboxylatetert-Butyl 3-((tert-butylsulfinyl)imino)azetidine-1-carboxylateMFCD18839250C12H22N2O3S1-Azetidinecarboxylic acid, 3-[[(1,1-dimethylethyl)sulfinyl]imino]-, 1,1-dimethylethyl ester

이름 더 보기

tert-부틸3-tert-부틸술피닐미노아제티딘-1-카르복실레이트tert-Butyl 3-[[(tert-butyl)sulfinyl]imino]-1-azetidinecarboxylatetert-Butyl 3-tert-butylsulfinyliminoazetidine-1-carboxylate - [B6229]1,1-Dimethylethyl 3-[[(1,1-dimethylethyl)sulfinyl]imino]-1-azetidinecarboxylate

JOBIXWHPZPUSTM-UHFFFAOYSA-NN-(1-Boc-azetidin-3-ylidene)-2-methylpropane-2-sulfinamideSCHEMBL14118909RBC48732tert-Butyl3-((tert-butylsulfinyl)imino)azetidine-1-carboxylateAKOS015950351SB508201-Boc-3-tert-butylsulfinyliminoazetidine

데이터베이스 식별자

CAS: 1291487-32-5
PubChem CID: 56776988
DTXSID: DTXSID00718471
EC Number: 984-927-4
Nikkaji: J2.982.297B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 78.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 383

물리화학적 성질

저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C12H22N2O3S/c1-11(2,3)17-10(15)14-7-9(8-14)13-18(16)12(4,5)6/h7-8H2,1-6H3
InChIKey: JOBIXWHPZPUSTM-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(N1CC(C1)=NS(C(C)(C)C)=O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

공급사13 곳

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Aladdin Scientific[email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

学研惠（武汉）科技有限公司15727060112 · [email protected]

上海宣月科技有限公司15216675652 · [email protected]

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