[diamino(phenyl)-λ4-sulfanyl]benzene

C12H14N2S — CID 19827321

IUPAC[diamino(phenyl)-λ4-sulfanyl]benzene
SMILESNS(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H14N2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13-14H2
InChIKeyDLMGRYHSKBVRAM-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.66
Rot. Bonds2

About [diamino(phenyl)-λ4-sulfanyl]benzene

[diamino(phenyl)-λ4-sulfanyl]benzene (PubChem CID 19827321) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is [diamino(phenyl)-λ4-sulfanyl]benzene.

Molecular Properties

Compound Name[diamino(phenyl)-λ4-sulfanyl]benzene
PubChem CID19827321
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name[diamino(phenyl)-λ4-sulfanyl]benzene
SMILESNS(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H14N2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13-14H2
InChIKeyDLMGRYHSKBVRAM-UHFFFAOYSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [diamino(phenyl)-λ4-sulfanyl]benzene?
The IUPAC name of [diamino(phenyl)-λ4-sulfanyl]benzene (CID 19827321) is [diamino(phenyl)-λ4-sulfanyl]benzene.
What is the SMILES notation for [diamino(phenyl)-λ4-sulfanyl]benzene?
The canonical SMILES for [diamino(phenyl)-λ4-sulfanyl]benzene is NS(N)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diamino(phenyl)-λ4-sulfanyl]benzene?
The InChIKey is DLMGRYHSKBVRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,13-14H2.
What are the key properties of [diamino(phenyl)-λ4-sulfanyl]benzene?
[diamino(phenyl)-λ4-sulfanyl]benzene has a molecular weight of 218.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diamino(phenyl)-λ4-sulfanyl]benzene is sourced from PubChem (CID 19827321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).