2-Nitro-N-phenylbenzo(b)thiophen-3-amine

HCID 197891

Notes Reactions

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Basic information

CAS: 10133-37-6
Standard SMILES: O=[N+]([O-])c1sc2ccccc2c1Nc1ccccc1
InChIKey: ZQHXXAOMTMKWSQ-UHFFFAOYSA-N
Molecular formula: C14H10N2O2S
Average molar mass: 270.31 g/mol
Monoisotopic mass: 270.04629874

Names & identifiers

Preferred name: 2-Nitro-N-phenylbenzo(b)thiophen-3-amine
IUPAC: 2-nitro-N-phenyl-1-benzothiophen-3-amine

Names & synonyms

10133-37-6Benzo(b)thiophen-3-amine, 2-nitro-N-phenyl-2-Nitro-N-phenylbenzo(b)thiophen-3-amine2-nitro-N-phenylbenzo[b]thiophen-3-amineDTXSID90143854Benzo[b]thiophen-3-amine, 2-nitro-N-phenyl-RefChem:1063930DTXCID80663452-nitro-N-phenyl-1-benzothiophen-3-amineBRN 13191628W75KQM35KSCHEMBL15443296

Show more names

ZQHXXAOMTMKWSQ-UHFFFAOYSA-ZQHXXAOMTMKWSQ-UHFFFAOYSA-NAA-516/31408025NITRO-N-PHENYLBENZO(B)THIOPHEN-3-AMINE, 2-InChI=1/C14H10N2O2S/c17-16(18)14-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)19-14/h1-9,15H

Database identifiers

CAS: 10133-37-6
PubChem CID: 197891
DTXSID: DTXSID90143854
UNII: 8W75KQM35K
Nikkaji: J514.196F

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 86.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 328

Related reactions

2 records

New reaction record

HRID 2174146As productuspto-grants-2015_06

HRID 2174147As reactantuspto-grants-2015_06

Compound notes

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