1-(sulfinylamino)-2-(1-sulfinylethyl)benzene

C8H7NO2S2 — CID 134891630

IUPAC1-(sulfinylamino)-2-(1-sulfinylethyl)benzene
SMILESCC(=S=O)c1ccccc1N=S=O
InChIInChI=1S/C8H7NO2S2/c1-6(12-10)7-4-2-3-5-8(7)9-13-11/h2-5H,1H3
InChIKeyDVKFYAZBKXWBQZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.47
Rot. Bonds2

About 1-(sulfinylamino)-2-(1-sulfinylethyl)benzene

1-(sulfinylamino)-2-(1-sulfinylethyl)benzene (PubChem CID 134891630) has the molecular formula C8H7NO2S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(sulfinylamino)-2-(1-sulfinylethyl)benzene.

Molecular Properties

Compound Name1-(sulfinylamino)-2-(1-sulfinylethyl)benzene
PubChem CID134891630
Molecular FormulaC8H7NO2S2
Molecular Weight213.28 g/mol
Exact Mass212.99
IUPAC Name1-(sulfinylamino)-2-(1-sulfinylethyl)benzene
SMILESCC(=S=O)c1ccccc1N=S=O
InChIInChI=1S/C8H7NO2S2/c1-6(12-10)7-4-2-3-5-8(7)9-13-11/h2-5H,1H3
InChIKeyDVKFYAZBKXWBQZ-UHFFFAOYSA-N
XLogP1.47
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(sulfinylamino)-2-(1-sulfinylethyl)benzene?
The IUPAC name of 1-(sulfinylamino)-2-(1-sulfinylethyl)benzene (CID 134891630) is 1-(sulfinylamino)-2-(1-sulfinylethyl)benzene.
What is the SMILES notation for 1-(sulfinylamino)-2-(1-sulfinylethyl)benzene?
The canonical SMILES for 1-(sulfinylamino)-2-(1-sulfinylethyl)benzene is CC(=S=O)c1ccccc1N=S=O.
What is the InChIKey of 1-(sulfinylamino)-2-(1-sulfinylethyl)benzene?
The InChIKey is DVKFYAZBKXWBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S2/c1-6(12-10)7-4-2-3-5-8(7)9-13-11/h2-5H,1H3.
What are the key properties of 1-(sulfinylamino)-2-(1-sulfinylethyl)benzene?
1-(sulfinylamino)-2-(1-sulfinylethyl)benzene has a molecular weight of 213.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinylamino)-2-(1-sulfinylethyl)benzene is sourced from PubChem (CID 134891630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).