CAS 22133-01-3 S-Methyl-S-(4-nitrophenyl)sulfoximine (HCID 12463933)

기본 정보

CAS: 22133-01-3
표준 SMILES: CS(=N)(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: OSHPSKAPWFEQST-UHFFFAOYSA-N
분자식: C7H8N2O3S
평균 분자량: 200.22 g/mol
단동위원소 질량: 200.02556312

이름 및 식별자

우선 이름: S-Methyl-S-(4-nitrophenyl)sulfoximine
IUPAC: imino-methyl-(4-nitrophenyl)-oxo-λ6-sulfane
영어명: imino(methyl)(4-nitrophenyl)-lambda6-sulfanone
분자식: C7H8N2O3S
분자량: 200.21

이름 및 동의어

22133-01-3imino(methyl)(4-nitrophenyl)-lambda6-sulfanoneDTXSID001286156S-Methyl-S-(4-nitrophenyl)sulfoximineRefChem:884263DTXCID001716830994-932-3MFCD207311651-(S-methylsulfonimidoyl)-4-nitrobenzeneimino(methyl)(4-nitrophenyl)-l6-sulfanoneimino-methyl-(4-nitrophenyl)-oxo-lambda6-sulfaneSCHEMBL486719

이름 더 보기

S-methyl-S-(4-nitrophenyl)- SulfoximineSulfoximine, S-methyl-S-(4-nitrophenyl)-Imino(methyl)(4-nitrophenyl)-λ6-sulfanone

OSHPSKAPWFEQST-UHFFFAOYSA-NXAA13301GS0115AKOS030240536AT25748SS-4988SY1935371-(S-Methanesulfonimidoyl)-4-nitrobenzene

데이터베이스 식별자

CAS: 22133-01-3
PubChem CID: 12463933
DTXSID: DTXSID001286156
EC Number: 994-932-3
Nikkaji: J2.507.498J

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 95.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 295

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.