CID 162027355

C14H16N4S2W4 — CID 162027355

IUPAC—
SMILESCC(=[W])c1nnsc1C(C)=[W].CCC(=[W])c1nnsc1C(=[W])CC
InChIInChI=1S/C8H10N2S.C6H6N2S.4W/c1-3-5-7-8(6-4-2)11-10-9-7;1-3-5-6(4-2)9-8-7-5;;;;/h3-4H2,1-2H3;1-2H3;;;;
InChIKeyOCVTXOZYOGOPEO-UHFFFAOYSA-N
MW1039.80 g/mol
LogP2.21
Rot. Bonds6

About CID 162027355

CID 162027355 (PubChem CID 162027355) has the molecular formula C14H16N4S2W4 and a molecular weight of 1039.80 g/mol.

Molecular Properties

Compound NameCID 162027355
PubChem CID162027355
Molecular FormulaC14H16N4S2W4
Molecular Weight1039.80 g/mol
Exact Mass1039.89
IUPAC Name—
SMILESCC(=[W])c1nnsc1C(C)=[W].CCC(=[W])c1nnsc1C(=[W])CC
InChIInChI=1S/C8H10N2S.C6H6N2S.4W/c1-3-5-7-8(6-4-2)11-10-9-7;1-3-5-6(4-2)9-8-7-5;;;;/h3-4H2,1-2H3;1-2H3;;;;
InChIKeyOCVTXOZYOGOPEO-UHFFFAOYSA-N
XLogP2.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001039.80
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 162027355?
The IUPAC name of CID 162027355 (CID 162027355) is not available.
What is the SMILES notation for CID 162027355?
The canonical SMILES for CID 162027355 is CC(=[W])c1nnsc1C(C)=[W].CCC(=[W])c1nnsc1C(=[W])CC.
What is the InChIKey of CID 162027355?
The InChIKey is OCVTXOZYOGOPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S.C6H6N2S.4W/c1-3-5-7-8(6-4-2)11-10-9-7;1-3-5-6(4-2)9-8-7-5;;;;/h3-4H2,1-2H3;1-2H3;;;;.
What are the key properties of CID 162027355?
CID 162027355 has a molecular weight of 1039.80 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162027355 is sourced from PubChem (CID 162027355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).