CID 14908757

C21H28S2 — CID 14908757

IUPAC—
SMILESS=C1C2(SC13C1CC4CC(C1)CC3C4)C1CC3CC(C1)CC2C3
InChIInChI=1S/C21H28S2/c22-19-20(15-3-11-1-12(5-15)6-16(20)4-11)23-21(19)17-7-13-2-14(9-17)10-18(21)8-13/h11-18H,1-10H2
InChIKeyOQXQYMFINHLSHU-UHFFFAOYSA-N
MW344.59 g/mol
LogP5.49
Rot. Bonds

About CID 14908757

CID 14908757 (PubChem CID 14908757) has the molecular formula C21H28S2 and a molecular weight of 344.59 g/mol.

Molecular Properties

Compound NameCID 14908757
PubChem CID14908757
Molecular FormulaC21H28S2
Molecular Weight344.59 g/mol
Exact Mass344.16
IUPAC Name—
SMILESS=C1C2(SC13C1CC4CC(C1)CC3C4)C1CC3CC(C1)CC2C3
InChIInChI=1S/C21H28S2/c22-19-20(15-3-11-1-12(5-15)6-16(20)4-11)23-21(19)17-7-13-2-14(9-17)10-18(21)8-13/h11-18H,1-10H2
InChIKeyOQXQYMFINHLSHU-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.59
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 14908757?
The IUPAC name of CID 14908757 (CID 14908757) is not available.
What is the SMILES notation for CID 14908757?
The canonical SMILES for CID 14908757 is S=C1C2(SC13C1CC4CC(C1)CC3C4)C1CC3CC(C1)CC2C3.
What is the InChIKey of CID 14908757?
The InChIKey is OQXQYMFINHLSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28S2/c22-19-20(15-3-11-1-12(5-15)6-16(20)4-11)23-21(19)17-7-13-2-14(9-17)10-18(21)8-13/h11-18H,1-10H2.
What are the key properties of CID 14908757?
CID 14908757 has a molecular weight of 344.59 g/mol, XLogP of 5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14908757 is sourced from PubChem (CID 14908757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).