2-(sulfinatoamino)-1-benzothiophene

C8H6NO2S2- — CID 69305734

IUPAC2-(sulfinatoamino)-1-benzothiophene
SMILESO=S([O-])Nc1cc2ccccc2s1
InChIInChI=1S/C8H7NO2S2/c10-13(11)9-8-5-6-3-1-2-4-7(6)12-8/h1-5,9H,(H,10,11)/p-1
InChIKeyFXJVARGMEYNNJZ-UHFFFAOYSA-M
MW212.28 g/mol
LogP2.11
Rot. Bonds2

About 2-(sulfinatoamino)-1-benzothiophene

2-(sulfinatoamino)-1-benzothiophene (PubChem CID 69305734) has the molecular formula C8H6NO2S2- and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-(sulfinatoamino)-1-benzothiophene.

Molecular Properties

Compound Name2-(sulfinatoamino)-1-benzothiophene
PubChem CID69305734
Molecular FormulaC8H6NO2S2-
Molecular Weight212.28 g/mol
Exact Mass211.98
IUPAC Name2-(sulfinatoamino)-1-benzothiophene
SMILESO=S([O-])Nc1cc2ccccc2s1
InChIInChI=1S/C8H7NO2S2/c10-13(11)9-8-5-6-3-1-2-4-7(6)12-8/h1-5,9H,(H,10,11)/p-1
InChIKeyFXJVARGMEYNNJZ-UHFFFAOYSA-M
XLogP2.11
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-benzothiophen-2-amine
CID 18186472
1-benzothiophen-2-ylthiourea
CID 54554781
sodium;2-(1-benzothiophen-2-ylamino)acetic acid;hydride
CID 173419506
2-amino-N-(1-benzothiophen-2-yl)benzamide
CID 147635883
N-(1-benzothiophen-2-yl)cyclooctanecarboxamide
CID 150772406
1-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)urea
CID 2811404
[2-(1-benzothiophen-2-ylamino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid
CID 14151783
N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide
CID 5492977
4-(1-benzothiophen-2-ylamino)benzonitrile
CID 168873123
bis(1-benzothiophen-2-yl)methanone
CID 5330534
2-(fluoromethyl)-1-benzothiophene
CID 119085404
N-(1-benzothiophen-2-yl)adamantane-2-carboxamide
CID 151004349

Frequently Asked Questions

What is the IUPAC name of 2-(sulfinatoamino)-1-benzothiophene?
The IUPAC name of 2-(sulfinatoamino)-1-benzothiophene (CID 69305734) is 2-(sulfinatoamino)-1-benzothiophene.
What is the SMILES notation for 2-(sulfinatoamino)-1-benzothiophene?
The canonical SMILES for 2-(sulfinatoamino)-1-benzothiophene is O=S([O-])Nc1cc2ccccc2s1.
What is the InChIKey of 2-(sulfinatoamino)-1-benzothiophene?
The InChIKey is FXJVARGMEYNNJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NO2S2/c10-13(11)9-8-5-6-3-1-2-4-7(6)12-8/h1-5,9H,(H,10,11)/p-1.
What are the key properties of 2-(sulfinatoamino)-1-benzothiophene?
2-(sulfinatoamino)-1-benzothiophene has a molecular weight of 212.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatoamino)-1-benzothiophene is sourced from PubChem (CID 69305734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).