(2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride

C22H37O2PS2Sn — CID 173428384

IUPAC(2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride
SMILESCCCCCCCCc1cccc(CCCCCCCC)c1OP([O-])(=S)[S-].[Sn+2]
InChIInChI=1S/C22H39O2PS2.Sn/c1-3-5-7-9-11-13-16-20-18-15-19-21(22(20)24-25(23,26)27)17-14-12-10-8-6-4-2;/h15,18-19H,3-14,16-17H2,1-2H3,(H2,23,26,27);/q;+2/p-2
InChIKeyIKIANTPDYASMKL-UHFFFAOYSA-L
MW547.36 g/mol
LogP6.62
Rot. Bonds16

About (2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride

(2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride (PubChem CID 173428384) has the molecular formula C22H37O2PS2Sn and a molecular weight of 547.36 g/mol. Its IUPAC name is (2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride.

Molecular Properties

Compound Name(2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride
PubChem CID173428384
Molecular FormulaC22H37O2PS2Sn
Molecular Weight547.36 g/mol
Exact Mass548.10
IUPAC Name(2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride
SMILESCCCCCCCCc1cccc(CCCCCCCC)c1OP([O-])(=S)[S-].[Sn+2]
InChIInChI=1S/C22H39O2PS2.Sn/c1-3-5-7-9-11-13-16-20-18-15-19-21(22(20)24-25(23,26)27)17-14-12-10-8-6-4-2;/h15,18-19H,3-14,16-17H2,1-2H3,(H2,23,26,27);/q;+2/p-2
InChIKeyIKIANTPDYASMKL-UHFFFAOYSA-L
XLogP6.62
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.36
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze (2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 70606516
zinc (2,3-diheptylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 68945518
hexakis(bis(2-nonylphenoxy)-sulfanylidene-sulfido-λ5-phosphane);molybdenum
CID 23071486
4,9-dihexylpicene
CID 58426524
4,9-didodecylpicene
CID 58426566
2-[(2,6-dihexylphenoxy)-(2,6-dihexylphenyl)sulfanylphosphoryl]oxy-1,3-dihexylbenzene
CID 23331073
1-tetradecylnaphthalene
CID 14402128
1,2-di(tridecyl)benzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173300670
1,2-dioctylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173024798
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of (2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride?
The IUPAC name of (2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride (CID 173428384) is (2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride.
What is the SMILES notation for (2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride?
The canonical SMILES for (2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride is CCCCCCCCc1cccc(CCCCCCCC)c1OP([O-])(=S)[S-].[Sn+2].
What is the InChIKey of (2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride?
The InChIKey is IKIANTPDYASMKL-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H39O2PS2.Sn/c1-3-5-7-9-11-13-16-20-18-15-19-21(22(20)24-25(23,26)27)17-14-12-10-8-6-4-2;/h15,18-19H,3-14,16-17H2,1-2H3,(H2,23,26,27);/q;+2/p-2.
What are the key properties of (2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride?
(2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride has a molecular weight of 547.36 g/mol, XLogP of 6.62, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dioctylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane;tin(2+) dihydride is sourced from PubChem (CID 173428384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).