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

HCID 22807

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6338-70-1
Standard SMILES: NC1CCS(=O)(=O)C1
InChIKey: OVKIDXBGVUQFFC-UHFFFAOYSA-N
Molecular formula: C4H9NO2S
Average molar mass: 135.19 g/mol
Monoisotopic mass: 135.03539953

Names & identifiers

Preferred name: 3-Thiophenamine, tetrahydro-, 1,1-dioxide
IUPAC: 1,1-dioxothiolan-3-amine
English name: 1,1-Dioxidotetrahydrothien-3-ylamine
Molecular formula: C4H9NO2S
Molecular weight: 135.18

Names & synonyms

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

Show more names

AKOS 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

Database identifiers

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

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 167

Physicochemical properties

storage temp.: 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 Substance Registry System: 3 · 3-Thiophenamine, tetrahydro-, 1,1-dioxide (6338-70-1)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

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.