3-Thiophenamine, tetrahydro-, 1,1-dioxide

HCID 22807CAS 6338-70-1

기본 정보

표준 SMILES: NC1CCS(=O)(=O)C1
InChIKey: OVKIDXBGVUQFFC-UHFFFAOYSA-N
분자식: C4H9NO2S
평균 분자량: 135.19 g/mol
단동위원소 질량: 135.03539953

이름 및 식별자

우선 이름: 3-Thiophenamine, tetrahydro-, 1,1-dioxide
IUPAC: 1,1-dioxothiolan-3-amine
현지명: 3-아미노술폴란
영어명: 1,1-Dioxidotetrahydrothien-3-ylamine
분자식: C4H9NO2S
분자량: 135.18

이름 및 동의어

6338-70-13-THIOPHENAMINE, TETRAHYDRO-, 1,1-DIOXIDE3-SulfolanylamineN-3-SulfolanylamineTetrahydro-3-thiophenamine 1,1-dioxideEINECS 228-730-7NSC 40793BRN 3933935DTXSID608842625-18-09-00474 (Beilstein Handbook Reference)RefChem:95475DTXCID60897312

이름 더 보기

3-아미노술폴란AKOS MSC-0124AKOS BBS-00004836CBI-BB ZERO/005408IFLAB-BB F1294-0035TIMTEC-BB SBB0056013-Aminothiolane 1,1-dioxide

1,1-dioxidotetrahydrothien-3-ylamine3-Aminosulfolane1,1-dioxothiolan-3-amine3-Aminotetrahydrothiophene 1,1-dioxideTetrahydrothiophen-3-amine 1,1-dioxide(1,1-Dioxidotetrahydro-3-thienyl)amineMFCD000225453-amino-1lambda6-thiolane-1,1-dione

데이터베이스 식별자

CAS: 6338-70-1
PubChem CID: 22807
DTXSID: DTXSID60884262
EC Number: 228-730-7

물성

구조 계산 물성

XLogP: -1.1
극성 표면적: 68.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 167

물리화학적 성질

저장 조건: 2 · 2-8°C
InChI: InChI=1S/C4H9NO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3,5H2
InChIKey: OVKIDXBGVUQFFC-UHFFFAOYSA-N
SMILES: C1S(=O)(=O)CCC1N
EPA: 3 · 3-Thiophenamine, tetrahydro-, 1,1-dioxide (6338-70-1)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.