imino(diphenyl)-λ4-sulfane;hydrate

C12H13NOS — CID 11435938

IUPACimino(diphenyl)-λ4-sulfane;hydrate
SMILESO.[H]N=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11NS.H2O/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;1H2
InChIKeyYLGYIQQZVOCMDO-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.66
Rot. Bonds2

About imino(diphenyl)-λ4-sulfane;hydrate

imino(diphenyl)-λ4-sulfane;hydrate (PubChem CID 11435938) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is imino(diphenyl)-λ4-sulfane;hydrate.

Molecular Properties

Compound Nameimino(diphenyl)-λ4-sulfane;hydrate
PubChem CID11435938
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Nameimino(diphenyl)-λ4-sulfane;hydrate
SMILESO.[H]N=S(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11NS.H2O/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;1H2
InChIKeyYLGYIQQZVOCMDO-UHFFFAOYSA-N
XLogP2.66
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of imino(diphenyl)-λ4-sulfane;hydrate?
The IUPAC name of imino(diphenyl)-λ4-sulfane;hydrate (CID 11435938) is imino(diphenyl)-λ4-sulfane;hydrate.
What is the SMILES notation for imino(diphenyl)-λ4-sulfane;hydrate?
The canonical SMILES for imino(diphenyl)-λ4-sulfane;hydrate is O.[H]N=S(c1ccccc1)c1ccccc1.
What is the InChIKey of imino(diphenyl)-λ4-sulfane;hydrate?
The InChIKey is YLGYIQQZVOCMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS.H2O/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;1H2.
What are the key properties of imino(diphenyl)-λ4-sulfane;hydrate?
imino(diphenyl)-λ4-sulfane;hydrate has a molecular weight of 219.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for imino(diphenyl)-λ4-sulfane;hydrate is sourced from PubChem (CID 11435938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).