CID 70548130

C23H35SSn — CID 70548130

IUPAC—
SMILESCCC[Sn](CCC)CCC.Cc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C14H14S.3C3H7.Sn/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;3*1-3-2;/h3-10H,1-2H3;3*1,3H2,2H3;
InChIKeyTYMNSQVQUWSHIP-UHFFFAOYSA-N
MW462.31 g/mol
LogP8.17
Rot. Bonds8

About CID 70548130

CID 70548130 (PubChem CID 70548130) has the molecular formula C23H35SSn and a molecular weight of 462.31 g/mol.

Molecular Properties

Compound NameCID 70548130
PubChem CID70548130
Molecular FormulaC23H35SSn
Molecular Weight462.31 g/mol
Exact Mass463.15
IUPAC Name—
SMILESCCC[Sn](CCC)CCC.Cc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C14H14S.3C3H7.Sn/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;3*1-3-2;/h3-10H,1-2H3;3*1,3H2,2H3;
InChIKeyTYMNSQVQUWSHIP-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.31
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 70548130?
The IUPAC name of CID 70548130 (CID 70548130) is not available.
What is the SMILES notation for CID 70548130?
The canonical SMILES for CID 70548130 is CCC[Sn](CCC)CCC.Cc1ccc(Sc2ccc(C)cc2)cc1.
What is the InChIKey of CID 70548130?
The InChIKey is TYMNSQVQUWSHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S.3C3H7.Sn/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;3*1-3-2;/h3-10H,1-2H3;3*1,3H2,2H3;.
What are the key properties of CID 70548130?
CID 70548130 has a molecular weight of 462.31 g/mol, XLogP of 8.17, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70548130 is sourced from PubChem (CID 70548130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).