N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine

C8H8BrNOS — CID 153366342

IUPACN-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
SMILESON=C1CCCc2sc(Br)cc21
InChIInChI=1S/C8H8BrNOS/c9-8-4-5-6(10-11)2-1-3-7(5)12-8/h4,11H,1-3H2
InChIKeyJAIIWEIZZYUIQI-UHFFFAOYSA-N
MW246.13 g/mol
LogP3.03
Rot. Bonds

About N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine

N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine (PubChem CID 153366342) has the molecular formula C8H8BrNOS and a molecular weight of 246.13 g/mol. Its IUPAC name is N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
PubChem CID153366342
Molecular FormulaC8H8BrNOS
Molecular Weight246.13 g/mol
Exact Mass244.95
IUPAC NameN-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
SMILESON=C1CCCc2sc(Br)cc21
InChIInChI=1S/C8H8BrNOS/c9-8-4-5-6(10-11)2-1-3-7(5)12-8/h4,11H,1-3H2
InChIKeyJAIIWEIZZYUIQI-UHFFFAOYSA-N
XLogP3.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzo(b)thiophen-4(5H)-one, 6,7-dihydro-, oxime
CID 6509737
(NE)-N-[(E)-1-(4-bromophenyl)-3-thiophen-2-ylprop-2-enylidene]hydroxylamine
CID 70683251
(E)-6,7-dihydrobenzo[b]thiophen-4(5h)-one oxime
CID 5360606
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylidene)hydroxylamine
CID 29898
(NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine
CID 14113371
(NE)-N-(5,6-dihydro-4H-1-benzothiophen-7-ylidene)hydroxylamine
CID 14962189
(NE)-N-(2-methyl-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
CID 46503518
N-[3-(4-bromophenyl)-4-(4-methylthiophen-2-yl)but-3-en-2-ylidene]hydroxylamine
CID 86584961
(NZ)-N-(2-methyl-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
CID 92699809
(NE)-N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
CID 156222457
5,6-Dihydrobenzo[B]thiophen-7(4H)-one oxime
CID 161775934
(NE)-N-(2-methyl-5,6-dihydro-4H-1-benzothiophen-7-ylidene)hydroxylamine
CID 166769861

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
The IUPAC name of N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine (CID 153366342) is N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
The canonical SMILES for N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine is ON=C1CCCc2sc(Br)cc21.
What is the InChIKey of N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
The InChIKey is JAIIWEIZZYUIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNOS/c9-8-4-5-6(10-11)2-1-3-7(5)12-8/h4,11H,1-3H2.
What are the key properties of N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine has a molecular weight of 246.13 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine is sourced from PubChem (CID 153366342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).