CID 58394043

C7H4Cl2OS — CID 58394043

IUPAC—
SMILES[CH]CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H4Cl2OS/c1-2-5(10)4-3-6(8)11-7(4)9/h1,3H,2H2
InChIKeyPNAMYZRKUOIIPD-UHFFFAOYSA-N
MW207.08 g/mol
LogP3.34
Rot. Bonds2

About CID 58394043

CID 58394043 (PubChem CID 58394043) has the molecular formula C7H4Cl2OS and a molecular weight of 207.08 g/mol.

Molecular Properties

Compound NameCID 58394043
PubChem CID58394043
Molecular FormulaC7H4Cl2OS
Molecular Weight207.08 g/mol
Exact Mass205.94
IUPAC Name—
SMILES[CH]CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H4Cl2OS/c1-2-5(10)4-3-6(8)11-7(4)9/h1,3H,2H2
InChIKeyPNAMYZRKUOIIPD-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.08
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58394043?
The IUPAC name of CID 58394043 (CID 58394043) is not available.
What is the SMILES notation for CID 58394043?
The canonical SMILES for CID 58394043 is [CH]CC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of CID 58394043?
The InChIKey is PNAMYZRKUOIIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2OS/c1-2-5(10)4-3-6(8)11-7(4)9/h1,3H,2H2.
What are the key properties of CID 58394043?
CID 58394043 has a molecular weight of 207.08 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58394043 is sourced from PubChem (CID 58394043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).