CID 166108919

C6H8LrNS- — CID 166108919

IUPAC—
SMILESCC1=C[C-](C)N=CS1.[Lr]
InChIInChI=1S/C6H8NS.Lr/c1-5-3-6(2)8-4-7-5;/h3-4H,1-2H3;/q-1;
InChIKeyCWTBTABOJNGROO-UHFFFAOYSA-N
MW388.20 g/mol
LogP2.22
Rot. Bonds

About CID 166108919

CID 166108919 (PubChem CID 166108919) has the molecular formula C6H8LrNS- and a molecular weight of 388.20 g/mol.

Molecular Properties

Compound NameCID 166108919
PubChem CID166108919
Molecular FormulaC6H8LrNS-
Molecular Weight388.20 g/mol
Exact Mass388.15
IUPAC Name—
SMILESCC1=C[C-](C)N=CS1.[Lr]
InChIInChI=1S/C6H8NS.Lr/c1-5-3-6(2)8-4-7-5;/h3-4H,1-2H3;/q-1;
InChIKeyCWTBTABOJNGROO-UHFFFAOYSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 166108919?
The IUPAC name of CID 166108919 (CID 166108919) is not available.
What is the SMILES notation for CID 166108919?
The canonical SMILES for CID 166108919 is CC1=C[C-](C)N=CS1.[Lr].
What is the InChIKey of CID 166108919?
The InChIKey is CWTBTABOJNGROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NS.Lr/c1-5-3-6(2)8-4-7-5;/h3-4H,1-2H3;/q-1;.
What are the key properties of CID 166108919?
CID 166108919 has a molecular weight of 388.20 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166108919 is sourced from PubChem (CID 166108919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).