6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one

HCID 686901CAS 21762-78-7

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc2c(c1)NC(=O)CS2
InChIKey: OTAZYXUGSKFPHN-UHFFFAOYSA-N
Molecular formula: C8H8N2OS
Average molar mass: 180.23 g/mol
Monoisotopic mass: 180.03573388

Names & identifiers

Preferred name: 6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-one
IUPAC: 6-amino-4H-1,4-benzothiazin-3-one
English name: 6-AMINO-2H-1,4-BENZOTHIAZIN-3(4H)-ONE
Molecular formula: C8H8N2OS
Molecular weight: 180.23

Names & synonyms

6-amino-3,4-dihydro-2H-1,4-benzothiazin-3-oneRefChem:540190855-995-121762-78-76-amino-2H-1,4-benzothiazin-3(4H)-one6-amino-2H-benzo[b][1,4]thiazin-3(4H)-one6-amino-4H-1,4-benzothiazin-3-oneMFCD029338976-Amino-4H-benzo[1,4]thiazin-3-one6-amino-2H,4H-benzo[e]1,4-thiazin-3-one2H-1,4-Benzothiazin-3(4H)-one,6-amino-Oprea1_714034

Show more names

2H-1,4-Benzothiazin-3(4H)-one, 6-amino-6-amino-3,4-dihydro-2H-benzo[b][1,4]thiazin-3-one

SCHEMBL395053SCHEMBL3601956DTXSID30350722WAA76278SBB007506AKOS0011068316-Amino-1,4-benzothiazinn-3(4H)-oneSY152234

Database identifiers

CAS: 21762-78-7
PubChem CID: 686901
DTXSID: DTXSID30350722
EC Number: 855-995-1

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 80.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 197

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H302-H335-H319-H315-H312
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

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, P317, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H332-H302-H335-H319-H315-H312
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501