4-Nitro-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione

HCID 21794366

Completing data — usually done within a minute

Basic information

CAS
82649-17-0
Standard SMILES
O=C1NS(=O)(=O)c2cccc([N+](=O)[O-])c21
InChIKey
RFHXJNKBDRTECE-UHFFFAOYSA-N
Molecular formula
C7H4N2O5S
Average molar mass
228.18 g/mol
Monoisotopic mass
227.98409223

Names & identifiers

Preferred name
4-Nitro-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
IUPAC
4-nitro-1,1-dioxo-1,2-benzothiazol-3-one

Names & synonyms

82649-17-04-Nitro-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trioneDTXSID20618181RefChem:294981DTXCID205689354-nitro-1,1-dioxo-1,2-benzothiazol-3-one4-nitro-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione1,2-Benzisothiazol-3(2H)-one, 4-nitro-, 1,1-dioxidep-NitrosaccharinSCHEMBL4945188SCHEMBL30834919RFHXJNKBDRTECE-UHFFFAOYSA-N
Show more names
HDA64917EN300-74389864-nitro-2H-1,2-benzisothiazol-3-one 1,1-dioxide4-Nitro-1,2-benzoisothiazol-3(2H)-one-1,1-dioxideZ38245364524-?Nitro-?1,?2-?benzisothiazol-?3(2H)?-?one 1,?1-?dioxide

Database identifiers

CAS
82649-17-0
PubChem CID
21794366
DTXSID
DTXSID20618181
EC Number
876-322-8

Properties

Computed structural propertiesFilling in

XLogP
0.2
Topological polar surface area
117 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
15

Chemistry & industry

Suppliers1 total

宝欧信特生物科技(苏州)有限公司51288865780 · [email protected]

Related reactions

5 records

Compound notes

Loading…