CID 10746234

C25H44O2SSeSn — CID 10746234

IUPAC—
SMILESCC(CCCC[Se])OC(=S)Oc1ccccc1.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C13H17O2SSe.3C4H9.Sn/c1-11(7-5-6-10-17)14-13(16)15-12-8-3-2-4-9-12;3*1-3-4-2;/h2-4,8-9,11H,5-7,10H2,1H3;3*1,3-4H2,2H3;
InChIKeyYWWNNGSOGVXOKD-UHFFFAOYSA-N
MW606.36 g/mol
LogP8.39
Rot. Bonds15

About CID 10746234

CID 10746234 (PubChem CID 10746234) has the molecular formula C25H44O2SSeSn and a molecular weight of 606.36 g/mol.

Molecular Properties

Compound NameCID 10746234
PubChem CID10746234
Molecular FormulaC25H44O2SSeSn
Molecular Weight606.36 g/mol
Exact Mass608.12
IUPAC Name—
SMILESCC(CCCC[Se])OC(=S)Oc1ccccc1.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C13H17O2SSe.3C4H9.Sn/c1-11(7-5-6-10-17)14-13(16)15-12-8-3-2-4-9-12;3*1-3-4-2;/h2-4,8-9,11H,5-7,10H2,1H3;3*1,3-4H2,2H3;
InChIKeyYWWNNGSOGVXOKD-UHFFFAOYSA-N
XLogP8.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.36
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze CID 10746234 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

(4R,5S)-4-methyl-5-phenoxycarbothioyloxyundecanal
CID 102108239
decan-2-yloxybenzene
CID 12838331
CTK1D3552
CID 11048548
octan-2-yl 2-phenylselanylpropanoate
CID 615469
nonan-4-yl phenyl carbonate
CID 152553263
2-O-pentan-2-yl 1-O-phenyl benzene-1,2-dicarboxylate
CID 6423658
phenyl 3-methylundecanoate
CID 175110466
[(2R)-octan-2-yl] [(1S)-1-phenylethyl] carbonate
CID 10880432
1-phenoxyheptan-2-ol
CID 12731443
O-phenyl 2-fluoropropanethioate
CID 87720516
hept-6-en-2-yl phenyl carbonate
CID 139630372
2-[(2S)-hexan-2-yl]oxycarbonylbenzoic acid
CID 40535439

Frequently Asked Questions

What is the IUPAC name of CID 10746234?
The IUPAC name of CID 10746234 (CID 10746234) is not available.
What is the SMILES notation for CID 10746234?
The canonical SMILES for CID 10746234 is CC(CCCC[Se])OC(=S)Oc1ccccc1.CCCC[Sn](CCCC)CCCC.
What is the InChIKey of CID 10746234?
The InChIKey is YWWNNGSOGVXOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O2SSe.3C4H9.Sn/c1-11(7-5-6-10-17)14-13(16)15-12-8-3-2-4-9-12;3*1-3-4-2;/h2-4,8-9,11H,5-7,10H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of CID 10746234?
CID 10746234 has a molecular weight of 606.36 g/mol, XLogP of 8.39, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10746234 is sourced from PubChem (CID 10746234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).