CID 131664049

C19H35NSSn — CID 131664049

IUPAC—
SMILESCCCC.CCCC.CCCC.[Sn].c1ccc2scnc2c1
InChIInChI=1S/C7H5NS.3C4H10.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h1-5H;3*3-4H2,1-2H3;
InChIKeyMNZYRBADRSOPFU-UHFFFAOYSA-N
MW428.27 g/mol
LogP7.33
Rot. Bonds3

About CID 131664049

CID 131664049 (PubChem CID 131664049) has the molecular formula C19H35NSSn and a molecular weight of 428.27 g/mol.

Molecular Properties

Compound NameCID 131664049
PubChem CID131664049
Molecular FormulaC19H35NSSn
Molecular Weight428.27 g/mol
Exact Mass429.15
IUPAC Name—
SMILESCCCC.CCCC.CCCC.[Sn].c1ccc2scnc2c1
InChIInChI=1S/C7H5NS.3C4H10.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h1-5H;3*3-4H2,1-2H3;
InChIKeyMNZYRBADRSOPFU-UHFFFAOYSA-N
XLogP7.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.27
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 131664049?
The IUPAC name of CID 131664049 (CID 131664049) is not available.
What is the SMILES notation for CID 131664049?
The canonical SMILES for CID 131664049 is CCCC.CCCC.CCCC.[Sn].c1ccc2scnc2c1.
What is the InChIKey of CID 131664049?
The InChIKey is MNZYRBADRSOPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.3C4H10.Sn/c1-2-4-7-6(3-1)8-5-9-7;3*1-3-4-2;/h1-5H;3*3-4H2,1-2H3;.
What are the key properties of CID 131664049?
CID 131664049 has a molecular weight of 428.27 g/mol, XLogP of 7.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131664049 is sourced from PubChem (CID 131664049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).