CID 11315798

C27H20S2 — CID 11315798

IUPAC—
SMILESCC1Cc2ccc3ccccc3c2C12SC21c2ccccc2Sc2ccccc21
InChIInChI=1S/C27H20S2/c1-17-16-19-15-14-18-8-2-3-9-20(18)25(19)26(17)27(29-26)21-10-4-6-12-23(21)28-24-13-7-5-11-22(24)27/h2-15,17H,16H2,1H3
InChIKeySHTYAUGASNIKHM-UHFFFAOYSA-N
MW408.59 g/mol
LogP7.38
Rot. Bonds

About CID 11315798

CID 11315798 (PubChem CID 11315798) has the molecular formula C27H20S2 and a molecular weight of 408.59 g/mol.

Molecular Properties

Compound NameCID 11315798
PubChem CID11315798
Molecular FormulaC27H20S2
Molecular Weight408.59 g/mol
Exact Mass408.10
IUPAC Name—
SMILESCC1Cc2ccc3ccccc3c2C12SC21c2ccccc2Sc2ccccc21
InChIInChI=1S/C27H20S2/c1-17-16-19-15-14-18-8-2-3-9-20(18)25(19)26(17)27(29-26)21-10-4-6-12-23(21)28-24-13-7-5-11-22(24)27/h2-15,17H,16H2,1H3
InChIKeySHTYAUGASNIKHM-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11315798?
The IUPAC name of CID 11315798 (CID 11315798) is not available.
What is the SMILES notation for CID 11315798?
The canonical SMILES for CID 11315798 is CC1Cc2ccc3ccccc3c2C12SC21c2ccccc2Sc2ccccc21.
What is the InChIKey of CID 11315798?
The InChIKey is SHTYAUGASNIKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20S2/c1-17-16-19-15-14-18-8-2-3-9-20(18)25(19)26(17)27(29-26)21-10-4-6-12-23(21)28-24-13-7-5-11-22(24)27/h2-15,17H,16H2,1H3.
What are the key properties of CID 11315798?
CID 11315798 has a molecular weight of 408.59 g/mol, XLogP of 7.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11315798 is sourced from PubChem (CID 11315798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).