CID 160883141

C61H183B8S4 — CID 160883141

IUPAC—
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CSC.CSC.CSSC.C[B]C.C[B]C.C[B]C.[B]C.[B]C.[B]C.[B]C.[B]C
InChIInChI=1S/3C2H6B.C2H6S2.2C2H6S.22C2H6.5CH3B/c3*1-3-2;1-3-4-2;2*1-3-2;27*1-2/h3*1-2H3;1-2H3;2*1-2H3;22*1-2H3;5*1H3
InChIKeySCOHLARJFZHGLM-UHFFFAOYSA-N
MW1131.90 g/mol
LogP29.54
Rot. Bonds1

About CID 160883141

CID 160883141 (PubChem CID 160883141) has the molecular formula C61H183B8S4 and a molecular weight of 1131.90 g/mol.

Molecular Properties

Compound NameCID 160883141
PubChem CID160883141
Molecular FormulaC61H183B8S4
Molecular Weight1131.90 g/mol
Exact Mass1132.39
IUPAC Name—
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CSC.CSC.CSSC.C[B]C.C[B]C.C[B]C.[B]C.[B]C.[B]C.[B]C.[B]C
InChIInChI=1S/3C2H6B.C2H6S2.2C2H6S.22C2H6.5CH3B/c3*1-3-2;1-3-4-2;2*1-3-2;27*1-2/h3*1-2H3;1-2H3;2*1-2H3;22*1-2H3;5*1H3
InChIKeySCOHLARJFZHGLM-UHFFFAOYSA-N
XLogP29.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.90
LogP ≤ 529.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 160883141?
The IUPAC name of CID 160883141 (CID 160883141) is not available.
What is the SMILES notation for CID 160883141?
The canonical SMILES for CID 160883141 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CSC.CSC.CSSC.C[B]C.C[B]C.C[B]C.[B]C.[B]C.[B]C.[B]C.[B]C.
What is the InChIKey of CID 160883141?
The InChIKey is SCOHLARJFZHGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H6B.C2H6S2.2C2H6S.22C2H6.5CH3B/c3*1-3-2;1-3-4-2;2*1-3-2;27*1-2/h3*1-2H3;1-2H3;2*1-2H3;22*1-2H3;5*1H3.
What are the key properties of CID 160883141?
CID 160883141 has a molecular weight of 1131.90 g/mol, XLogP of 29.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160883141 is sourced from PubChem (CID 160883141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).