CID 160556343

C7H7ClNaS — CID 160556343

IUPAC—
SMILESCSc1ccccc1Cl.[Na]
InChIInChI=1S/C7H7ClS.Na/c1-9-7-5-3-2-4-6(7)8;/h2-5H,1H3;
InChIKeyQYSROVOFLUKIAW-UHFFFAOYSA-N
MW181.64 g/mol
LogP2.68
Rot. Bonds1

About CID 160556343

CID 160556343 (PubChem CID 160556343) has the molecular formula C7H7ClNaS and a molecular weight of 181.64 g/mol.

Molecular Properties

Compound NameCID 160556343
PubChem CID160556343
Molecular FormulaC7H7ClNaS
Molecular Weight181.64 g/mol
Exact Mass180.99
IUPAC Name—
SMILESCSc1ccccc1Cl.[Na]
InChIInChI=1S/C7H7ClS.Na/c1-9-7-5-3-2-4-6(7)8;/h2-5H,1H3;
InChIKeyQYSROVOFLUKIAW-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.64
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 160556343?
The IUPAC name of CID 160556343 (CID 160556343) is not available.
What is the SMILES notation for CID 160556343?
The canonical SMILES for CID 160556343 is CSc1ccccc1Cl.[Na].
What is the InChIKey of CID 160556343?
The InChIKey is QYSROVOFLUKIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClS.Na/c1-9-7-5-3-2-4-6(7)8;/h2-5H,1H3;.
What are the key properties of CID 160556343?
CID 160556343 has a molecular weight of 181.64 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160556343 is sourced from PubChem (CID 160556343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).