benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane

C14H15O2PS2 — CID 6453024

IUPACbenzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane
SMILESOP(=S)(OCc1ccccc1)SCc1ccccc1
InChIInChI=1S/C14H15O2PS2/c15-17(18,16-11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,18)
InChIKeyOKYYRDLXAQOHGD-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.35
Rot. Bonds6

About benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane

benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane (PubChem CID 6453024) has the molecular formula C14H15O2PS2 and a molecular weight of 310.38 g/mol. Its IUPAC name is benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebenzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane
PubChem CID6453024
Molecular FormulaC14H15O2PS2
Molecular Weight310.38 g/mol
Exact Mass310.03
IUPAC Namebenzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane
SMILESOP(=S)(OCc1ccccc1)SCc1ccccc1
InChIInChI=1S/C14H15O2PS2/c15-17(18,16-11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,18)
InChIKeyOKYYRDLXAQOHGD-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[amino(hydroxy)phosphinothioyl]sulfanylmethylbenzene
CID 68500660
hydroxy-imino-bis(phenylmethoxy)-λ5-phosphane
CID 57159517
zinc bis(bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 87069687
dibenzyl hydrogen phosphate;silver
CID 85301331
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
benzylsulfanyl(hydroxy)phosphinate
CID 140570730
potassium benzylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 70633644
hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane
CID 174823623
difluoromethyl-bis(phenylmethoxy)-sulfanylidene-lambda5-phosphane
CID 15273575
benzyl tert-butyl hydrogen phosphate
CID 140989025
O-benzyl benzylsulfanylmethanethioate
CID 12651692
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417

Frequently Asked Questions

What is the IUPAC name of benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane (CID 6453024) is benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane is OP(=S)(OCc1ccccc1)SCc1ccccc1.
What is the InChIKey of benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is OKYYRDLXAQOHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2PS2/c15-17(18,16-11-13-7-3-1-4-8-13)19-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,18).
What are the key properties of benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane?
benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 310.38 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfanyl-hydroxy-phenylmethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 6453024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).