CID 145167909

C27H38S — CID 145167909

IUPAC—
SMILESCC.CC.CC.CS1(C)C2(C=Cc3ccccc32)CC12C=Cc1ccccc12
InChIInChI=1S/C21H20S.3C2H6/c1-22(2)20(13-11-16-7-3-5-9-18(16)20)15-21(22)14-12-17-8-4-6-10-19(17)21;3*1-2/h3-14H,15H2,1-2H3;3*1-2H3
InChIKeyYRJUBSZUIFHYRG-UHFFFAOYSA-N
MW394.67 g/mol
LogP8.38
Rot. Bonds

About CID 145167909

CID 145167909 (PubChem CID 145167909) has the molecular formula C27H38S and a molecular weight of 394.67 g/mol.

Molecular Properties

Compound NameCID 145167909
PubChem CID145167909
Molecular FormulaC27H38S
Molecular Weight394.67 g/mol
Exact Mass394.27
IUPAC Name—
SMILESCC.CC.CC.CS1(C)C2(C=Cc3ccccc32)CC12C=Cc1ccccc12
InChIInChI=1S/C21H20S.3C2H6/c1-22(2)20(13-11-16-7-3-5-9-18(16)20)15-21(22)14-12-17-8-4-6-10-19(17)21;3*1-2/h3-14H,15H2,1-2H3;3*1-2H3
InChIKeyYRJUBSZUIFHYRG-UHFFFAOYSA-N
XLogP8.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.67
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 145167909?
The IUPAC name of CID 145167909 (CID 145167909) is not available.
What is the SMILES notation for CID 145167909?
The canonical SMILES for CID 145167909 is CC.CC.CC.CS1(C)C2(C=Cc3ccccc32)CC12C=Cc1ccccc12.
What is the InChIKey of CID 145167909?
The InChIKey is YRJUBSZUIFHYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20S.3C2H6/c1-22(2)20(13-11-16-7-3-5-9-18(16)20)15-21(22)14-12-17-8-4-6-10-19(17)21;3*1-2/h3-14H,15H2,1-2H3;3*1-2H3.
What are the key properties of CID 145167909?
CID 145167909 has a molecular weight of 394.67 g/mol, XLogP of 8.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145167909 is sourced from PubChem (CID 145167909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).