CID 157104155

C26H178S35 — CID 157104155

IUPAC—
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.[2H][2H].[2H][3H]
InChIInChI=1S/26CH4.35H2S.2H2/h26*1H4;35*1H2;2*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+2D;1+1D
InChIKeyAGCNUTAHSTVDSP-SVJICXQASA-N
MW1619.08 g/mol
LogP20.98
Rot. Bonds

About CID 157104155

CID 157104155 (PubChem CID 157104155) has the molecular formula C26H178S35 and a molecular weight of 1619.08 g/mol.

Molecular Properties

Compound NameCID 157104155
PubChem CID157104155
Molecular FormulaC26H178S35
Molecular Weight1619.08 g/mol
Exact Mass1615.44
IUPAC Name—
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.[2H][2H].[2H][3H]
InChIInChI=1S/26CH4.35H2S.2H2/h26*1H4;35*1H2;2*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+2D;1+1D
InChIKeyAGCNUTAHSTVDSP-SVJICXQASA-N
XLogP20.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001619.08
LogP ≤ 520.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 157104155?
The IUPAC name of CID 157104155 (CID 157104155) is not available.
What is the SMILES notation for CID 157104155?
The canonical SMILES for CID 157104155 is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.S.[2H][2H].[2H][3H].
What is the InChIKey of CID 157104155?
The InChIKey is AGCNUTAHSTVDSP-SVJICXQASA-N. The full InChI is InChI=1S/26CH4.35H2S.2H2/h26*1H4;35*1H2;2*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1+2D;1+1D.
What are the key properties of CID 157104155?
CID 157104155 has a molecular weight of 1619.08 g/mol, XLogP of 20.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157104155 is sourced from PubChem (CID 157104155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).