CID 139245904

C6H4ClS — CID 139245904

IUPAC—
SMILES[S]c1cccc(Cl)c1
InChIInChI=1S/C6H4ClS/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKeyVCZGDGNIJKJUNI-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.90
Rot. Bonds

About CID 139245904

CID 139245904 (PubChem CID 139245904) has the molecular formula C6H4ClS and a molecular weight of 143.62 g/mol.

Molecular Properties

Compound NameCID 139245904
PubChem CID139245904
Molecular FormulaC6H4ClS
Molecular Weight143.62 g/mol
Exact Mass142.97
IUPAC Name—
SMILES[S]c1cccc(Cl)c1
InChIInChI=1S/C6H4ClS/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKeyVCZGDGNIJKJUNI-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 139245904?
The IUPAC name of CID 139245904 (CID 139245904) is not available.
What is the SMILES notation for CID 139245904?
The canonical SMILES for CID 139245904 is [S]c1cccc(Cl)c1.
What is the InChIKey of CID 139245904?
The InChIKey is VCZGDGNIJKJUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClS/c7-5-2-1-3-6(8)4-5/h1-4H.
What are the key properties of CID 139245904?
CID 139245904 has a molecular weight of 143.62 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139245904 is sourced from PubChem (CID 139245904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).