CID 165094907

C6H7ClOS3 — CID 165094907

IUPAC—
SMILESOCCc1csc(Cl)c1.S=S
InChIInChI=1S/C6H7ClOS.S2/c7-6-3-5(1-2-8)4-9-6;1-2/h3-4,8H,1-2H2;
InChIKeyXIFNXWCEBASLNA-UHFFFAOYSA-N
MW226.78 g/mol
LogP1.93
Rot. Bonds2

About CID 165094907

CID 165094907 (PubChem CID 165094907) has the molecular formula C6H7ClOS3 and a molecular weight of 226.78 g/mol.

Molecular Properties

Compound NameCID 165094907
PubChem CID165094907
Molecular FormulaC6H7ClOS3
Molecular Weight226.78 g/mol
Exact Mass225.93
IUPAC Name—
SMILESOCCc1csc(Cl)c1.S=S
InChIInChI=1S/C6H7ClOS.S2/c7-6-3-5(1-2-8)4-9-6;1-2/h3-4,8H,1-2H2;
InChIKeyXIFNXWCEBASLNA-UHFFFAOYSA-N
XLogP1.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CID 165094907 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 165094907?
The IUPAC name of CID 165094907 (CID 165094907) is not available.
What is the SMILES notation for CID 165094907?
The canonical SMILES for CID 165094907 is OCCc1csc(Cl)c1.S=S.
What is the InChIKey of CID 165094907?
The InChIKey is XIFNXWCEBASLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClOS.S2/c7-6-3-5(1-2-8)4-9-6;1-2/h3-4,8H,1-2H2;.
What are the key properties of CID 165094907?
CID 165094907 has a molecular weight of 226.78 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165094907 is sourced from PubChem (CID 165094907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).