CID 50923072

C25H35O5S5 — CID 50923072

IUPAC—
SMILESCCCSC(=O)[C]1[C](C(=O)SCCC)[C](C(=O)SCCC)[C](C(=O)SCCC)[C]1C(=O)SCCC
InChIInChI=1S/C25H35O5S5/c1-6-11-31-21(26)16-17(22(27)32-12-7-2)19(24(29)34-14-9-4)20(25(30)35-15-10-5)18(16)23(28)33-13-8-3/h6-15H2,1-5H3
InChIKeyFSKYPHXWCHWNHA-UHFFFAOYSA-N
MW575.89 g/mol
LogP6.22
Rot. Bonds15

About CID 50923072

CID 50923072 (PubChem CID 50923072) has the molecular formula C25H35O5S5 and a molecular weight of 575.89 g/mol.

Molecular Properties

Compound NameCID 50923072
PubChem CID50923072
Molecular FormulaC25H35O5S5
Molecular Weight575.89 g/mol
Exact Mass575.11
IUPAC Name—
SMILESCCCSC(=O)[C]1[C](C(=O)SCCC)[C](C(=O)SCCC)[C](C(=O)SCCC)[C]1C(=O)SCCC
InChIInChI=1S/C25H35O5S5/c1-6-11-31-21(26)16-17(22(27)32-12-7-2)19(24(29)34-14-9-4)20(25(30)35-15-10-5)18(16)23(28)33-13-8-3/h6-15H2,1-5H3
InChIKeyFSKYPHXWCHWNHA-UHFFFAOYSA-N
XLogP6.22
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.89
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 50923072?
The IUPAC name of CID 50923072 (CID 50923072) is not available.
What is the SMILES notation for CID 50923072?
The canonical SMILES for CID 50923072 is CCCSC(=O)[C]1[C](C(=O)SCCC)[C](C(=O)SCCC)[C](C(=O)SCCC)[C]1C(=O)SCCC.
What is the InChIKey of CID 50923072?
The InChIKey is FSKYPHXWCHWNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35O5S5/c1-6-11-31-21(26)16-17(22(27)32-12-7-2)19(24(29)34-14-9-4)20(25(30)35-15-10-5)18(16)23(28)33-13-8-3/h6-15H2,1-5H3.
What are the key properties of CID 50923072?
CID 50923072 has a molecular weight of 575.89 g/mol, XLogP of 6.22, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 50923072 is sourced from PubChem (CID 50923072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).