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

C8H9NOS — CID 29898

IUPACN-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
SMILESON=C1CCCc2sccc21
InChIInChI=1S/C8H9NOS/c10-9-7-2-1-3-8-6(7)4-5-11-8/h4-5,10H,1-3H2
InChIKeyJMHKHQOLEYGCNT-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.26
Rot. Bonds

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

N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine (PubChem CID 29898) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
PubChem CID29898
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC NameN-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
SMILESON=C1CCCc2sccc21
InChIInChI=1S/C8H9NOS/c10-9-7-2-1-3-8-6(7)4-5-11-8/h4-5,10H,1-3H2
InChIKeyJMHKHQOLEYGCNT-UHFFFAOYSA-N
XLogP2.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.26
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
N-[(5Z)-2,3,4,5-tetrahydro-1-benzothiepin-5-ylidene]hydroxylamine
CID 5400233
Ketone, phenyl 2-thienyl, oxime
CID 9570619
(E)-6,7-dihydrobenzo[b]thiophen-4(5h)-one oxime
CID 5360606
(NZ)-N-(5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-ylidene)hydroxylamine
CID 5406440
3-Acetylbenzo[b]-thiophene oxime
CID 88649435
N-(1-(5-phenylthiophen-2-yl)ethylidene)hydroxylamine
CID 10727503
N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine
CID 2822849
(NZ)-N-[1-[5-(2-phenylethynyl)thiophen-2-yl]ethylidene]hydroxylamine
CID 5716079
(NZ)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethylidene]hydroxylamine
CID 5716256
Propyl thienyl ketoxime
CID 642332
(NZ)-N-[1-(1-benzothiophen-2-yl)ethylidene]hydroxylamine
CID 16639160

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
The IUPAC name of N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine (CID 29898) is N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
The canonical SMILES for N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine is ON=C1CCCc2sccc21.
What is the InChIKey of N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
The InChIKey is JMHKHQOLEYGCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-9-7-2-1-3-8-6(7)4-5-11-8/h4-5,10H,1-3H2.
What are the key properties of N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine?
N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine has a molecular weight of 167.23 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine is sourced from PubChem (CID 29898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).