1-sulfanyl-2-(sulfinatoamino)benzene

C6H6NO2S2- — CID 130345162

IUPAC1-sulfanyl-2-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1ccccc1S
InChIInChI=1S/C6H7NO2S2/c8-11(9)7-5-3-1-2-4-6(5)10/h1-4,7,10H,(H,8,9)/p-1
InChIKeyITRLGIZQGXKLJK-UHFFFAOYSA-M
MW188.25 g/mol
LogP1.18
Rot. Bonds2

About 1-sulfanyl-2-(sulfinatoamino)benzene

1-sulfanyl-2-(sulfinatoamino)benzene (PubChem CID 130345162) has the molecular formula C6H6NO2S2- and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-sulfanyl-2-(sulfinatoamino)benzene.

Molecular Properties

Compound Name1-sulfanyl-2-(sulfinatoamino)benzene
PubChem CID130345162
Molecular FormulaC6H6NO2S2-
Molecular Weight188.25 g/mol
Exact Mass187.98
IUPAC Name1-sulfanyl-2-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1ccccc1S
InChIInChI=1S/C6H7NO2S2/c8-11(9)7-5-3-1-2-4-6(5)10/h1-4,7,10H,(H,8,9)/p-1
InChIKeyITRLGIZQGXKLJK-UHFFFAOYSA-M
XLogP1.18
TPSA52.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-sulfanyl-2-(sulfinatoamino)benzene?
The IUPAC name of 1-sulfanyl-2-(sulfinatoamino)benzene (CID 130345162) is 1-sulfanyl-2-(sulfinatoamino)benzene.
What is the SMILES notation for 1-sulfanyl-2-(sulfinatoamino)benzene?
The canonical SMILES for 1-sulfanyl-2-(sulfinatoamino)benzene is O=S([O-])Nc1ccccc1S.
What is the InChIKey of 1-sulfanyl-2-(sulfinatoamino)benzene?
The InChIKey is ITRLGIZQGXKLJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO2S2/c8-11(9)7-5-3-1-2-4-6(5)10/h1-4,7,10H,(H,8,9)/p-1.
What are the key properties of 1-sulfanyl-2-(sulfinatoamino)benzene?
1-sulfanyl-2-(sulfinatoamino)benzene has a molecular weight of 188.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyl-2-(sulfinatoamino)benzene is sourced from PubChem (CID 130345162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).