(4-니트로페닐)메틸(2-머캅토에틸)카바메이트

(4-Nitrophenyl)methyl (2-mercaptoethyl)carbamate

HCID 3017625CAS 65750-59-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(NCCS)OCc1ccc([N+](=O)[O-])cc1
InChIKey: WZKJVDAVEBGOMU-UHFFFAOYSA-N
분자식: C10H12N2O4S
평균 분자량: 256.28 g/mol
단동위원소 질량: 256.05177804

이름 및 식별자

우선 이름: (4-Nitrophenyl)methyl (2-mercaptoethyl)carbamate
IUPAC: (4-nitrophenyl)methyl N-(2-sulfanylethyl)carbamate
현지명: (4-니트로페닐)메틸(2-머캅토에틸)카바메이트
영어명: (4-nitrophenyl)methyl (2-mercaptoethyl)carbamate
분자식: C10H12N2O4S
분자량: 256.28

이름 및 동의어

65750-59-6(4-Nitrophenyl)methyl (2-mercaptoethyl)carbamate(4-nitrophenyl)methyl N-(2-sulfanylethyl)carbamate4-Nitrobenzyl (2-mercaptoethyl)carbamateEINECS 265-909-92-(p-nitrobenzyloxycarbonyl-amino)ethanethiolSCHEMBL6397529SCHEMBL9128787DTXSID30984283Carbamic acid, (2-mercaptoethyl)-, (4-nitrophenyl)methyl esterN-(4-nitrobenzyloxycarbonyl)cysteamineNS00055462

이름 더 보기

(4-니트로페닐)메틸(2-머캅토에틸)카바메이트DK857Carbamic acid, N-(2-mercaptoethyl)-, (4-nitrophenyl)methyl ester

2-(4-nitrobenzyloxycarbonyl)aminoethylmercaptan2-(p-nitrobenzyloxycarbonylamino)ethylmercaptan(4-Nitrophenyl)methyl hydrogen (2-sulfanylethyl)carbonimidate

데이터베이스 식별자

CAS: 65750-59-6
PubChem CID: 3017625
DTXSID: DTXSID30984283
EC Number: 265-909-9
Nikkaji: J307.479J

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 85.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 262

물리화학적 성질

용해도: 클로로포름에 용해됨

화학 및 산업

응용 분야 · 1건

용도4-Nitrobenzyl (2-Mercaptoethyl)carbamate is an intermediate in the synthesis of Thienamycin (T344270). Thienamycin is one of the most potent naturally produced antibiotics known thus far. It has excellent activity against both Gram-positive and Gram-negative bacteria and is resistant to bacterial β-lactamase enzymes.