CID 102379635

C28H32OS3 — CID 102379635

IUPAC—
SMILESC=C1SCCCSC[C@]12O[C@H]1CCCCCC[C@@H]1C1(S2)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H32OS3/c1-20-27(19-30-17-10-18-31-20)29-26-16-5-3-2-4-15-25(26)28(32-27)23-13-8-6-11-21(23)22-12-7-9-14-24(22)28/h6-9,11-14,25-26H,1-5,10,15-19H2/t25-,26-,27+/m0/s1
InChIKeyXODPKNOEUXZTAQ-GMQQYTKMSA-N
MW480.76 g/mol
LogP8.09
Rot. Bonds

About CID 102379635

CID 102379635 (PubChem CID 102379635) has the molecular formula C28H32OS3 and a molecular weight of 480.76 g/mol.

Molecular Properties

Compound NameCID 102379635
PubChem CID102379635
Molecular FormulaC28H32OS3
Molecular Weight480.76 g/mol
Exact Mass480.16
IUPAC Name—
SMILESC=C1SCCCSC[C@]12O[C@H]1CCCCCC[C@@H]1C1(S2)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H32OS3/c1-20-27(19-30-17-10-18-31-20)29-26-16-5-3-2-4-15-25(26)28(32-27)23-13-8-6-11-21(23)22-12-7-9-14-24(22)28/h6-9,11-14,25-26H,1-5,10,15-19H2/t25-,26-,27+/m0/s1
InChIKeyXODPKNOEUXZTAQ-GMQQYTKMSA-N
XLogP8.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.76
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 102379635?
The IUPAC name of CID 102379635 (CID 102379635) is not available.
What is the SMILES notation for CID 102379635?
The canonical SMILES for CID 102379635 is C=C1SCCCSC[C@]12O[C@H]1CCCCCC[C@@H]1C1(S2)c2ccccc2-c2ccccc21.
What is the InChIKey of CID 102379635?
The InChIKey is XODPKNOEUXZTAQ-GMQQYTKMSA-N. The full InChI is InChI=1S/C28H32OS3/c1-20-27(19-30-17-10-18-31-20)29-26-16-5-3-2-4-15-25(26)28(32-27)23-13-8-6-11-21(23)22-12-7-9-14-24(22)28/h6-9,11-14,25-26H,1-5,10,15-19H2/t25-,26-,27+/m0/s1.
What are the key properties of CID 102379635?
CID 102379635 has a molecular weight of 480.76 g/mol, XLogP of 8.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102379635 is sourced from PubChem (CID 102379635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).